SCHEMBL8310215

SCHEMBL8310215

CC(C)C(=O)N[C@H](C(=O)O)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.56
ANPEP P15144 1/20 0.56
FPR2 P25090 1/20 0.53
NAALAD2 Q9Y3Q0 1/20 0.51
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
ALDH1A1 P00352 1/20 0.49
MAPT P10636 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
GAA P10253 1/20 0.47
LMNA P02545 2/20 0.47
MAPK1 P28482 1/20 0.47
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
ATM Q13315 1/20 0.46
FOLH1 Q04609 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC2 Q92769 1/20 0.45

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
SCHEMBL12864508 1.00 LTA4H (0.56) LTA4HANPEPFPR2NAALAD2MEN1
SCHEMBL5746466 0.87 GAA (0.46) LTA4HANPEPMEN1KMT2AALDH1A1
SCHEMBL21896752 0.87 GAA (0.46) LTA4HANPEPMEN1KMT2AALDH1A1
SCHEMBL14368108 0.87 GAA (0.46) LTA4HANPEPMEN1KMT2AALDH1A1
SCHEMBL3175279 0.85 CTRB1 (0.59) LTA4HANPEPFPR2NAALAD2MEN1
SCHEMBL14269017 0.85 GPR88 (0.52) LTA4HANPEPMEN1KMT2AALDH1A1
SCHEMBL19652273 0.85 GPR88 (0.52) LTA4HANPEPMEN1KMT2AALDH1A1
SCHEMBL31656407 0.85 CTRB1 (0.59) LTA4HANPEPFPR2NAALAD2MEN1
SCHEMBL12864496 0.84 KMT2A (0.55) MEN1KMT2AALDH1A1LMNA
SCHEMBL27751007 0.81 ANPEP (0.68) LTA4HANPEPNAALAD2MEN1KMT2A

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10258603-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2019-04-16 US disclosed
US-20170340604-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-11-30 US disclosed
US-20170340604-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-11-30 US disclosed
US-20110028509-A1 Sulfonamides MERCK SERONO SA (CH) 2011-02-03 US disclosed
US-20110028509-A1 Sulfonamides MERCK SERONO SA (CH) 2011-02-03 US disclosed
US-7217794-B2 Compounds and methods for treatment of thrombosis DAIAMED, INC. (US) 2007-05-15 US disclosed
WO-2004089297-A2 COMPOUNDS AND METHODS FOR TREATMENT OF THROMBOSIS SUNTORY PHARMACEUTICAL RESEARCH LABORATORIES, LLC (US) 2004-10-21 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 (3 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-10258603-B2 Therapeutic compounds and uses thereof BRD4, BRDT, BRD3 LTA4H 2691/4885ANPEP 4338/4885FPR2 3084/4885
US-20170340604-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF BRD4, BRDT, BRD3 LTA4H 2691/4885ANPEP 4338/4885FPR2 3084/4885
US-20110028509-A1 Sulfonamides CXCR3, CXCR2, CXCR1 LTA4H 618/4885ANPEP 3311/4885FPR2 232/4885

“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.