SCHEMBL2134658

SCHEMBL2134658

NNc1ccc2c3c(cccc13)C(=O)OC2=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYMS P04818 6/20 0.56
KMT2A Q03164 6/20 0.45
MEN1 O00255 5/20 0.45
USP2 O75604 5/20 0.45
KEAP1 Q14145 4/20 0.45
NFE2L2 Q16236 4/20 0.45
PABPC1 P11940 2/20 0.45
CYP1A2 P05177 2/20 0.41
TDP1 Q9NUW8 3/20 0.40
ALOX15 P16050 1/20 0.40
MAPT P10636 4/20 0.39
POLB P06746 3/20 0.39
RGS12 O14924 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
CYP3A4 P08684 1/20 0.39
PARP1 P09874 1/20 0.39
THRB P10828 1/20 0.39
CYP2C9 P11712 1/20 0.39
APEX1 P27695 1/20 0.39
CASP1 P29466 1/20 0.39

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
SCHEMBL6628883 0.81 PABPC1 (0.59) KMT2AMEN1USP2KEAP1NFE2L2
SCHEMBL3398583 0.81 MEN1 (0.62) KMT2AMEN1USP2KEAP1NFE2L2
Hydrochloric Acid SCHEMBL9081999 0.79 MEN1 (0.60) KMT2AMEN1USP2KEAP1NFE2L2
SCHEMBL8293068 0.79 KMT2A (0.54) KMT2AMEN1USP2KEAP1NFE2L2
SCHEMBL10267341 0.78 TYMS (0.70) TYMSKMT2AMEN1USP2KEAP1
SCHEMBL11809469 0.78 TYMS (0.51) TYMSKMT2AMEN1USP2KEAP1
SCHEMBL7706770 0.77 KDM4E (0.63) TYMSKMT2AMEN1USP2KEAP1
SCHEMBL4115460 0.76 MEN1 (0.56) TYMSKMT2AMEN1USP2KEAP1
SCHEMBL1025154 0.76 USP2 (0.65) TYMSKMT2AMEN1USP2KEAP1
SCHEMBL29556131 0.76 USP2 (0.65) TYMSKMT2AMEN1USP2KEAP1

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
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
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 TYMS 4506/4885KMT2A 575/4885MEN1 3325/4885
US-20090216017-A1 PROCESS FOR PRODUCING BIARYL COMPOUND PPOX, CAT, TYR TYMS 4506/4885KMT2A 575/4885MEN1 3325/4885
US-20050096471-A1 Process for producing biaryl compound PPOX, CAT, TYR TYMS 4506/4885KMT2A 575/4885MEN1 3325/4885

“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.