SCHEMBL5216747

SCHEMBL5216747

Cc1ccc(-c2ccccc2C(=O)O)cc1[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.55
CES2 O00748 1/20 0.54
CES1 P23141 1/20 0.54
ALDH1A1 P00352 3/20 0.52
EIF4E P06730 4/20 0.50
MAPT P10636 3/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
MEN1 O00255 1/20 0.50
LMNA P02545 1/20 0.50
MAPK1 P28482 1/20 0.50
KMT2A Q03164 1/20 0.50
MCL1 Q07820 1/20 0.48
MYC P01106 1/20 0.46
HSD17B10 Q99714 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CDC25B P30305 1/20 0.44
CYP3A4 P08684 1/20 0.44

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
SCHEMBL2533703 0.89 TSHR (0.55) TSHRCES2CES1EIF4ENPC1
SCHEMBL17157028 0.87 ALDH1A1 (0.52) TSHRCES2CES1ALDH1A1MAPT
SCHEMBL27585698 0.87 CASP6 (0.51) TSHRALDH1A1EIF4ESMN1; SMN2TDP1
SCHEMBL19025730 0.85 ALDH1A1 (0.53) TSHRALDH1A1EIF4EMAPTMYC
SCHEMBL29789033 0.85 ALDH1A1 (0.53) TSHRALDH1A1EIF4EMAPTMYC
SCHEMBL7053371 0.84 MAPT (0.51) TSHRALDH1A1EIF4EMAPTSMN1; SMN2
SCHEMBL8473662 0.83 SLC25A1 (0.55) ALDH1A1EIF4EMAPTMEN1LMNA
SCHEMBL16538208 0.83 EIF4E (0.51) TSHRALDH1A1EIF4EMAPTSMN1; SMN2
SCHEMBL6261436 0.83 SLC25A1 (0.55) ALDH1A1EIF4EMAPTMEN1LMNA
SCHEMBL12117513 0.82 HSD17B10 (0.58) TSHRCES2CES1ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1181014-B1 HETEROCYCLIC CONTAINING BIPHENYL aP2 INHIBITORS AND METHOD BRISTOL MYERS SQUIBB CO (US) 2007-05-23 EP disclosed
US-6927227-B2 Heterocyclic containing biphenyl aP2 inhibitors and method BRISTOL-MYERS SQUIBB COMPANY (US) 2005-08-09 US disclosed
US-20030199563-A1 Heterocyclic containing biphenyl aP2 inhibitors and method ROBL JEFFREY A (US) 2003-10-23 US disclosed
US-6548529-B1 AP2 (adipocyte fatty binding protein); biphenyl-substituted pyrazoles of given formula; treating diabetes and related diseases; mixtures with other antidiabetic agents such as metformin, glyburide, troglitazone and/or insulin BRISTOL-MYERS SQUIBB COMPANY 2003-04-15 US disclosed
EP-1181014-A4 HETEROCYCLIC CONTAINING BIPHENYL aP2 INHIBITORS AND METHOD BRISTOL MYERS SQUIBB CO (US) 2002-06-05 EP disclosed
CN-1345239-A Heterocyclic containing biphenyl alpha P2 inhibitors and method BRISTOL MYERS SQUIBB CO (US) 2002-04-17 CN disclosed
EP-1181014-A1 HETEROCYCLIC CONTAINING BIPHENYL aP2 INHIBITORS AND METHOD BRISTOL-MYERS SQUIBB COMPANY (US) 2002-02-27 EP disclosed
WO-2000059506-A1 HETEROCYCLIC CONTAINING BIPHENYL aP2 INHIBITORS AND METHOD BRISTOL-MYERS SQUIBB CO. (US) 2000-10-12 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 (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-20030199563-A1 Heterocyclic containing biphenyl aP2 inhibitors and method AP2B1, AP2A2, AP2A1 TSHR 734/4885CES2 2822/4885CES1 2377/4885

“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.