SCHEMBL2137697

SCHEMBL2137697

NNc1cccc(Cl)c1C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PBRM1 Q86U86 1/20 0.60
FABP4 P15090 4/20 0.57
FABP3 P05413 3/20 0.57
MAPT P10636 4/20 0.49
ALDH1A1 P00352 3/20 0.49
FEN1 P39748 1/20 0.46
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
DPP4 P27487 1/20 0.44
PLK1 P53350 1/20 0.44
SLC16A3 O15427 1/20 0.43
LMNA P02545 2/20 0.42
USP2 O75604 1/20 0.42
MT-CO2 P00403 1/20 0.42
TTR P02766 1/20 0.42
PLA2G1B P04054 1/20 0.42
CYP1A2 P05177 1/20 0.42
PGR P06401 1/20 0.42
CYP3A4 P08684 1/20 0.42
HTR1A P08908 1/20 0.42

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
Hydrochloric Acid SCHEMBL28022291 0.98 PBRM1 (0.58) PBRM1FABP4FABP3MAPTALDH1A1
SCHEMBL1002898 0.86 LPAR2 (0.50) PBRM1FABP4FABP3MAPTALDH1A1
SCHEMBL2744206 0.81 PBRM1 (0.60) PBRM1FABP4FABP3MAPTALDH1A1
SCHEMBL22237905 0.81 PBRM1 (0.60) PBRM1FABP4FABP3MAPTALDH1A1
SCHEMBL2139128 0.80 CA12 (0.48) PBRM1MAPTALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL8512694 0.79 PBRM1 (0.58) PBRM1FABP4FABP3MAPTALDH1A1
SCHEMBL80183 0.79 ALDH1A1 (0.64) PBRM1FABP4FABP3ALDH1A1FEN1
SCHEMBL9472562 0.78 PBRM1 (0.49) PBRM1FABP4FABP3MAPTALDH1A1
SCHEMBL7988973 0.78 GPR35 (0.65) PBRM1FABP4FABP3ALDH1A1FEN1
SCHEMBL31488086 0.78 PBRM1 (0.57) PBRM1FABP4FABP3MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8242278-B2 Process for producing biaryl compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-08-14 US disclosed
US-20120101278-A1 PROCESS FOR PRODUCING BIARYL COMPOUND HAGIYA KOJI (JP) 2012-04-26 US disclosed
EP-1473286-B1 PROCESS FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL CO (JP) 2009-11-04 EP disclosed
US-20090216017-A1 PROCESS FOR PRODUCING BIARYL COMPOUND HAGIYA KOJI 2009-08-27 US disclosed
US-7554000-B2 Process for producing biaryl compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-06-30 US disclosed
CN-1303043-C Process for producing biaryl compound SUMITOMO CHEMICAL CO (JP) 2007-03-07 CN disclosed
CN-1642879-A Process for preparing diaryl compounds SUMITOMO CHEMICAL CO (JP) 2005-07-20 CN disclosed
US-20050096471-A1 Process for producing biaryl compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-05-05 US disclosed
EP-1473286-A1 PROCESS FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2004-11-03 EP 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-20120101278-A1 PROCESS FOR PRODUCING BIARYL COMPOUND PPOX, CAT, TYR PBRM1 1265/4885FABP4 4199/4885FABP3 4419/4885
US-20090216017-A1 PROCESS FOR PRODUCING BIARYL COMPOUND PPOX, CAT, TYR PBRM1 1265/4885FABP4 4199/4885FABP3 4419/4885
US-20050096471-A1 Process for producing biaryl compound PPOX, CAT, TYR PBRM1 1265/4885FABP4 4199/4885FABP3 4419/4885

“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.