SCHEMBL5216752

SCHEMBL5216752

Cc1ccc(-c2ccccc2C(=O)O)c([N+](=O)[O-])c1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EIF4E P06730 4/20 0.56
TSHR P16473 3/20 0.53
KCNMA1 Q12791 1/20 0.50
GAA P10253 2/20 0.49
CYP3A4 P08684 1/20 0.49
SLC6A2 P23975 1/20 0.48
SLC6A4 P31645 1/20 0.48
SLC6A3 Q01959 1/20 0.48
POLB P06746 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
ALDH1A1 P00352 2/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
PKM P14618 1/20 0.46
CDC25B P30305 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
SCHEMBL6555690 0.84 POLB (0.59) EIF4ETSHRPOLBSMN1; SMN2ALDH1A1
SCHEMBL6555682 0.84 POLB (0.59) EIF4ETSHRPOLBSMN1; SMN2ALDH1A1
SCHEMBL4439669 0.82 TSHR (0.59) EIF4ETSHRGAAMEN1KMT2A
SCHEMBL29120749 0.81 MAPT (0.57) EIF4ETSHRGAAMEN1KMT2A
SCHEMBL4371510 0.81 GAA (0.59) TSHRGAACYP3A4POLBKMT2A
SCHEMBL11189916 0.80 TSHR (0.72) TSHRCYP3A4MEN1KMT2ASMN1; SMN2
SCHEMBL406111 0.79 TSHR (0.60) TSHRKCNMA1GAACYP3A4SMN1; SMN2
SCHEMBL6702122 0.79 MYC (0.58) EIF4ETSHRGAACYP3A4POLB
Phthalic Acid SCHEMBL10580388 0.79 TSHR (0.59) EIF4ETSHRKCNMA1GAACYP3A4
SCHEMBL2960968 0.78 ALDH1A1 (0.61) TSHRKCNMA1CYP3A4POLBMEN1

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
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
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 EIF4E 2137/4885TSHR 734/4885KCNMA1 2303/4885

“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.