SCHEMBL417582

SCHEMBL417582

C[C@H](C(=O)O)C1CCCC1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACE P12821 1/20 0.43
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
EPHX1 P07099 2/20 0.41
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
MMP2 P08253 2/20 0.39
CA9 Q16790 2/20 0.39
GABRA1 P14867 3/20 0.38
GABRA5 P31644 3/20 0.38
GABRB2 P47870 3/20 0.38
GABRR1 P24046 2/20 0.38
GABRA4 P48169 1/20 0.38
TP53 P04637 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HIF1A Q16665 1/20 0.36
DPP4 P27487 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9307 1.00 ACE (0.43) ACEALDH1A1SMN1; SMN2EPHX1CA12
SCHEMBL17628753 1.00 ACE (0.43) ACEALDH1A1SMN1; SMN2EPHX1CA12
SCHEMBL1188709 0.97 EPHX1 (0.44) ACEALDH1A1SMN1; SMN2EPHX1CA12
SCHEMBL11922662 0.97 EPHX1 (0.44) ACEALDH1A1SMN1; SMN2EPHX1CA12
SCHEMBL31323959 0.97 EPHX1 (0.44) ACEALDH1A1SMN1; SMN2EPHX1CA12
SCHEMBL1595664 0.97 EPHX1 (0.44) ACEALDH1A1SMN1; SMN2EPHX1CA12
Cyclohexane SCHEMBL18344237 0.97 EPHX1 (0.44) ACEALDH1A1SMN1; SMN2EPHX1CA12
SCHEMBL2055541 0.97 EPHX1 (0.44) ACEALDH1A1SMN1; SMN2EPHX1CA12
SCHEMBL29234882 0.97 ACE (0.42) ACEALDH1A1SMN1; SMN2EPHX1CA12
Hydrochloric Acid SCHEMBL5741895 0.97 ACE (0.42) ACEALDH1A1SMN1; SMN2EPHX1CA12

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10426135-B2 Methyl- and trifluromethyl-substituted pyrrolopyridine modulators of RORC2 and methods of use thereof PFIZER INC. (US) 2019-10-01 US disclosed
US-10385036-B2 Sulfonamide-substituted indole modulators of RORC2 and methods of use thereof PFIZER INC. (US) 2019-08-20 US disclosed
US-10336748-B2 Methyoxy-substituted pyrrolopyridine modulators of RORC2 and methods of use thereof PFIZER INC. (US) 2019-07-02 US disclosed
US-20190150401-A1 Methyl- and Trifluromethyl-Substituted Pyrrolopyridine Modulators of RORC2 and Methods of Use Thereof PFIZER INC. (US) 2019-05-23 US disclosed
US-10227346-B2 Methyl- and trifluoromethyl-substituted pyrrolopyridine modulators of RORC2 and methods of use therof PFIZER INC. (US) 2019-03-12 US disclosed
US-20180273504-A1 Sulfonamide-Substituted Indole Modulators of RORC2 and Methods of Use Thereof PFIZER INC. (US) 2018-09-27 US disclosed
US-20180170928-A1 Methyl- and Trifluoromethyl-Substituted Pyrrolopyridine Modulators of RORC2 and Methods of Use Thereof PFIZER INC. (US) 2018-06-21 US disclosed
US-9920054-B2 Methyl- and trifluoromethyl-substituted pyrrolopyridine modulators of RORC2 and methods of use thereof PFIZER INC. (US) 2018-03-20 US disclosed
US-20180002330-A1 Methyoxy-Substituted Pyrrolopyridine Modulators of RORC2 and Methods of Use Thereof PFIZER INC. (US) 2018-01-04 US disclosed
EP-3250561-A1 SULFONAMIDE-SUBSITUTED INDOLE MODULATORS OF RORC2 AND METHODS OF USE THEREOF Pfizer Inc (US) 2017-12-06 EP disclosed
US-8529882-B2 Peptidomimetic protease inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-09-10 US disclosed
US-20120282219-A1 PEPTIDOMIMETIC PROTEASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-11-08 US disclosed
US-20120252734-A1 INHIBITORS OF ANTIGEN PRESENTATION BY MHC CLASS II MOLECULES OLSON GARY LEE (US) 2012-10-04 US disclosed
US-20120064034-A1 Peptidomimetic protease inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-03-15 US disclosed
US-20110217324-A1 INHIBITORS OF ANTIGEN PRESENTATION BY MHC CLASS II MOLECULES AND METHODS OF USE THEREOF PROVID PHARMACEUTICALS, INC. 2011-09-08 US disclosed
US-7425576-B2 Compounds as inhibitors of hepatitis C virus NS3 serine protease SCHERING CORPORATION (US) 2008-09-16 US disclosed
US-20070142300-A1 Novel compounds as inhibitors of hepatitis C virus NS3 serine protease MERCK SHARP & DOHME LLC 2007-06-21 US disclosed
US-7186747-B2 Compounds as inhibitors of hepatitis C virus NS3 serine protease SCHERING CORPORATION (US) 2007-03-06 US disclosed
EP-1734962-A2 COMPOSITIONS AND METHODS FOR MODULATING GATED ION CHANNELS PainCeptor Pharma Corp. (CA) 2006-12-27 EP disclosed
WO-2006038070-A2 COMPOSITIONS AND METHODS FOR MODULATING GATED ION CHANNELS PAINCEPTOR PHARMA CORPORATION (CA) 2006-04-13 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (11 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20180002330-A1 Methyoxy-Substituted Pyrrolopyridine Modulators of RORC2 and Methods of Use Thereof RORC, RORB, RORA ACE 2950/4885ALDH1A1 484/4885SMN1; SMN2 3331/4885
US-20070142300-A1 Novel compounds as inhibitors of hepatitis C virus NS3 serine protease SERPINB1, HAVCR2, HPN ACE 20/4885ALDH1A1 1238/4885SMN1; SMN2 3491/4885
US-20110217324-A1 INHIBITORS OF ANTIGEN PRESENTATION BY MHC CLASS II MOLECULES AND METHODS OF USE THEREOF HLA-DRB1, CD74, MICA ACE 718/4885ALDH1A1 2379/4885SMN1; SMN2 3457/4885
US-10227346-B2 Methyl- and trifluoromethyl-substituted pyrrolopyridine modulators of RORC2 and methods of use therof RORC, RORB, RORA ACE 3488/4885ALDH1A1 1091/4885SMN1; SMN2 2963/4885
US-20180170928-A1 Methyl- and Trifluoromethyl-Substituted Pyrrolopyridine Modulators of RORC2 and Methods of Use Thereof RORC, RORB, RORA ACE 3808/4885ALDH1A1 715/4885SMN1; SMN2 3039/4885
US-10336748-B2 Methyoxy-substituted pyrrolopyridine modulators of RORC2 and methods of use thereof RORC, RORB, RORA ACE 2950/4885ALDH1A1 484/4885SMN1; SMN2 3331/4885
US-20180273504-A1 Sulfonamide-Substituted Indole Modulators of RORC2 and Methods of Use Thereof RORC, RORB, RORA ACE 3722/4885ALDH1A1 491/4885SMN1; SMN2 4056/4885
US-20120252734-A1 INHIBITORS OF ANTIGEN PRESENTATION BY MHC CLASS II MOLECULES HLA-DRB1, CD74, MICA ACE 263/4885ALDH1A1 2074/4885SMN1; SMN2 3602/4885
US-20120064034-A1 Peptidomimetic protease inhibitors CTSC, PREP, PEPD ACE 109/4885ALDH1A1 2218/4885SMN1; SMN2 4224/4885
US-20120282219-A1 PEPTIDOMIMETIC PROTEASE INHIBITORS CTSC, PEPD, PREP ACE 58/4885ALDH1A1 2639/4885SMN1; SMN2 4184/4885
US-10385036-B2 Sulfonamide-substituted indole modulators of RORC2 and methods of use thereof RORC, RORB, RORA ACE 4166/4885ALDH1A1 446/4885SMN1; SMN2 3701/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.