SCHEMBL3685745

SCHEMBL3685745

Cc1nc(C(=O)O)cc(C(=O)O)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 3/20 0.54
TSHR P16473 2/20 0.54
HIF1A Q16665 1/20 0.54
KMO O15229 1/20 0.53
GPR35 Q9HC97 2/20 0.47
DAO P14920 1/20 0.46
HCAR2 Q8TDS4 1/20 0.46
TDP1 Q9NUW8 4/20 0.45
LMNA P02545 1/20 0.45
KDM4E B2RXH2 3/20 0.44
ACMSD Q8TDX5 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.41
RAB9A P51151 2/20 0.40
MAPT P10636 1/20 0.40
RXFP1 Q9HBX9 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPK1 P28482 1/20 0.39
TPMT P51580 1/20 0.39
NPC1 O15118 1/20 0.38

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
SCHEMBL1760306 0.88 KMO (0.49) ALOX15TSHRHIF1AKMOGPR35
SCHEMBL985538 0.86 KMO (0.47) ALOX15TSHRHIF1AKMOGPR35
Water SCHEMBL9423366 0.84 KMO (0.46) ALOX15TSHRHIF1AKMOGPR35
SCHEMBL9196203 0.84 KMO (0.54) ALOX15TSHRHIF1AKMOGPR35
Hydrochloric Acid SCHEMBL2192452 0.83 KMO (0.53) ALOX15TSHRHIF1AKMOGPR35
SCHEMBL29305616 0.81 KMO (0.44) ALOX15TSHRHIF1AKMOGPR35
SCHEMBL9191087 0.81 TDP1 (0.68) ALOX15TSHRHIF1AKMOGPR35
SCHEMBL3685858 0.80 PDE2A (0.49) ALOX15TSHRHIF1AKMOGPR35
SCHEMBL14136412 0.79 ALOX15 (0.61) ALOX15TSHRHIF1AKMOGPR35
SCHEMBL28527128 0.78 KMO (0.65) KMOLMNAKDM4EMAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2185537-A1 PYRIMIDINE AND PYRIDINE DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS Pfizer Inc. (US) 2010-05-19 EP disclosed
WO-2009016498-A1 PYRIMIDINE AND PYRIDINE DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS PFIZER INC. (US) 2009-02-05 WO disclosed
US-20070155739-A1 Substituted bis-amide metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 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 (1 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-20070155739-A1 Substituted bis-amide metalloprotease inhibitors MMP13, MMP9, ADAMTS13 ALOX15 682/4885TSHR 4432/4885HIF1A 1078/4885

“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.