SCHEMBL4177731

SCHEMBL4177731

COC(=O)c1cc(C(=O)O)c(-c2ccccc2)nc1-c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.55
ALDH1A1 P00352 4/20 0.53
SMN1; SMN2 Q16637 1/20 0.49
PLA2G2A P14555 1/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
GAA P10253 2/20 0.47
HPGD P15428 1/20 0.47
TRPM8 Q7Z2W7 1/20 0.47
KDM4E B2RXH2 1/20 0.47
PTGS1 P23219 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
NR4A2 P43354 1/20 0.46
GABRA1 P14867 1/20 0.46
GABRG2 P18507 1/20 0.46
GABRB3 P28472 1/20 0.46
GABRA5 P31644 1/20 0.46
GABRA3 P34903 1/20 0.46
CA12 O43570 1/20 0.45
CA1 P00915 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
SCHEMBL4177727 0.95 MAPT (0.59) MAPTALDH1A1SMN1; SMN2PLA2G2AMEN1
SCHEMBL27992695 0.81 PDE10A (0.53) MAPTALDH1A1SMN1; SMN2PLA2G2AMEN1
SCHEMBL18817157 0.80 KDM4E (0.50) MAPTALDH1A1SMN1; SMN2PLA2G2AMEN1
SCHEMBL28953089 0.78 MAPT (0.46) MAPTALDH1A1SMN1; SMN2PLA2G2AMEN1
SCHEMBL30040702 0.77 ALDH1A1 (0.68) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL17633503 0.76 ALDH1A1 (0.55) MAPTALDH1A1SMN1; SMN2PLA2G2AMEN1
SCHEMBL5262192 0.76 TUBB4A (0.46) MAPTALDH1A1SMN1; SMN2HPGDTRPM8
SCHEMBL18817530 0.76 KDM4E (0.46) MAPTALDH1A1SMN1; SMN2PLA2G2AMEN1
SCHEMBL1015675 0.75 NTRK1 (0.58) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL17633487 0.75 KDM4E (0.55) MAPTALDH1A1SMN1; SMN2PLA2G2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114105864-A Method for synthesizing symmetrical 2,3,5, 6-tetra-substituted pyridine 温州医科大学 2022-03-01 CN disclosed
US-20090163535-A1 Substituted Heteroarylalkanoic Acids THE INSTITUES FOR PHARMACEUTICAL DISCOVERY, INC. (US) 2009-06-25 US disclosed
EP-1444228-B1 SUBSTITUTED HETEROARYLALKANOIC ACIDS AND THEIR USE AS ALDOSE REDUCTASE INHIBITORS INST FOR PHARM DISCOVERY INC (US) 2008-05-21 EP disclosed
US-7361671-B2 Substituted heteroarylalkanoic acids THE INSTITUTE FOR PHARMACEUTICAL DISCOVERY, INC. (US) 2008-04-22 US disclosed
US-20030166668-A1 Substituted heteroarylalkanoic acids THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY, INC. A CORPORATION OF THE STATE OF DELAWARE 2003-09-04 US 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 (2 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-20090163535-A1 Substituted Heteroarylalkanoic Acids GPR119, LIPA, LIPC MAPT 4805/4885ALDH1A1 227/4885SMN1; SMN2 4596/4885
US-20030166668-A1 Substituted heteroarylalkanoic acids GPR119, LIPA, DDC MAPT 4760/4885ALDH1A1 270/4885SMN1; SMN2 4572/4885

“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.