SCHEMBL239019

SCHEMBL239019

COC(=O)N[C@H](C(=O)O)C1Cc2ccccc2C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM7 Q14831 2/20 0.40
ALDH1A1 P00352 3/20 0.40
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C9 P11712 1/20 0.36
TSHR P16473 1/20 0.36
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
NPY5R Q15761 1/20 0.35
FABP5 Q01469 1/20 0.35
METAP1 P53582 1/20 0.35
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35
PYGL P06737 1/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 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
SCHEMBL27923521 1.00 GRM7 (0.40) GRM7ALDH1A1KMT2AMEN1MAPT
SCHEMBL3265365 0.88 MTNR1A (0.39) GRM7ALDH1A1KMT2AMEN1MAPT
SCHEMBL1598690 0.87 EPHX2 (0.44) EPHX2
SCHEMBL4816579 0.87 EPHX2 (0.44) EPHX2
SCHEMBL5389519 0.87 EPHX2 (0.44) EPHX2
SCHEMBL29911641 0.87 EPHX2 (0.44) EPHX2
SCHEMBL5991375 0.85 GRM7 (0.38) GRM7ALDH1A1KMT2AMEN1TSHR
SCHEMBL18596111 0.84 MTNR1A (0.40) GRM7ALDH1A1KMT2AMEN1MAPT
SCHEMBL21508992 0.83 GRM7 (0.41) GRM7MAPTCYP2C9MTNR1AMTNR1B
SCHEMBL5167346 0.81 ALDH1A1 (0.49) ALDH1A1KMT2AMEN1CYP2C9TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3438106-A1 ANTI-VIRAL COMPOUNDS AbbVie Ireland Unlimited Company (IE) 2019-02-06 EP claimed
US-20190015402-A1 Anti-Viral Compounds ABBVIE INC. (US) 2019-01-17 US claimed
US-20230285378-A1 Anti-Viral Compounds ABBVIE INC. (US) 2023-09-14 US disclosed
EP-3438106-A1 ANTI-VIRAL COMPOUNDS AbbVie Ireland Unlimited Company (IE) 2019-02-06 EP disclosed
US-20190015402-A1 Anti-Viral Compounds ABBVIE INC. (US) 2019-01-17 US disclosed
US-10039754-B2 Anti-viral compounds ABBVIE INC. (US) 2018-08-07 US disclosed
US-10028937-B2 Anti-viral compounds ABBVIE INC. (US) 2018-07-24 US disclosed
US-9981955-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2018-05-29 US disclosed
EP-3309157-A1 ANTIVIRAL COMPOUNDS Gilead Pharmasset LLC (US) 2018-04-18 EP disclosed
EP-3002281-B1 ANTIVIRAL COMPOUNDS GILEAD PHARMASSET LLC (US) 2017-09-13 EP disclosed
US-20170157104-A1 Anti-Viral Compounds ABBVIE INC. (US) 2017-06-08 US disclosed
US-20120157404-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-06-21 US disclosed
US-20120004196-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2012-01-05 US disclosed
US-8088368-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2012-01-03 US disclosed
US-8088368-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2012-01-03 US disclosed
US-20110207699-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2011-08-25 US disclosed
US-20110092415-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2011-04-21 US disclosed
US-20100310512-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2010-12-09 US disclosed
US-20100310512-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2010-12-09 US disclosed
WO-2010132601-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2010-11-18 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 (10 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-10028937-B2 Anti-viral compounds HAVCR2, EIF2AK2, MAVS GRM7 4503/4885ALDH1A1 2858/4885KMT2A 4093/4885
US-20230285378-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS GRM7 4503/4885ALDH1A1 2858/4885KMT2A 4093/4885
US-20120157404-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 GRM7 4022/4885ALDH1A1 3957/4885KMT2A 3803/4885
US-20110092415-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS GRM7 4503/4885ALDH1A1 2858/4885KMT2A 4093/4885
US-20170157104-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS GRM7 4503/4885ALDH1A1 2858/4885KMT2A 4093/4885
US-20110207699-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS GRM7 4503/4885ALDH1A1 2858/4885KMT2A 4093/4885
US-20190015402-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS GRM7 4503/4885ALDH1A1 2858/4885KMT2A 4093/4885
US-20100310512-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 GRM7 4022/4885ALDH1A1 3957/4885KMT2A 3803/4885
US-20120004196-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS GRM7 4503/4885ALDH1A1 2858/4885KMT2A 4093/4885
US-10039754-B2 Anti-viral compounds HAVCR2, EIF2AK2, MAVS GRM7 4503/4885ALDH1A1 2858/4885KMT2A 4093/4885

“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.