SCHEMBL3574852

SCHEMBL3574852

CS(=O)(=O)Oc1ccc(C(NC(=O)OCc2ccccc2)C(=O)OCc2ccccc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.57
CTSL P07711 1/20 0.56
CTSS P25774 1/20 0.56
CA1 P00915 2/20 0.52
CA2 P00918 2/20 0.52
ACHE P22303 1/20 0.52
CA12 O43570 1/20 0.46
CA9 Q16790 1/20 0.46
PPARG P37231 1/20 0.46
CYP3A4 P08684 2/20 0.46
KLK1 P06870 1/20 0.46
ALDH1A1 P00352 1/20 0.46
TSHR P16473 1/20 0.46
TP53 P04637 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
SCHEMBL1826461 0.94 ATM (0.54) ATMCTSLCTSSCA1CA2
SCHEMBL1827984 0.94 ATM (0.59) ATMCTSLCTSSCA1CA2
SCHEMBL1825202 0.93 ATM (0.67) ATMCTSLCTSSCA1CA2
SCHEMBL1827980 0.91 ATM (0.53) ATMCTSLCTSSCA1CA2
SCHEMBL1823293 0.91 ACACB (0.48) ATMCTSLCTSSCA1CA2
SCHEMBL1822425 0.90 SYK (0.49) ATMCTSLCTSSCA1CA2
SCHEMBL1824416 0.90 ATM (0.52) ATMCTSLCTSSCA1CA2
SCHEMBL1821793 0.87 ATM (0.53) ATMCTSLCTSS
SCHEMBL1824321 0.87 CASP3 (0.49) ATMCTSLCTSSCA1CA2
SCHEMBL1826255 0.86 MEN1 (0.50) ATMCTSLCTSSCA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7714157-B2 Process for preparing a biaryl compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-05-11 US disclosed
US-20070270603-A1 Process for preparing a biaryl compound SUMITOMO CHEMICAL COMPANY, LIMITED 2007-11-22 US disclosed
US-7271280-B2 Process for preparing a biaryl compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-09-18 US disclosed
EP-1481967-A1 PROCESS FOR THE PREPARATION OF BIARYL COMPOUNDS Sumitomo Chemical Company, Limited (JP) 2004-12-01 EP disclosed
US-20040158093-A1 Process for preparing a biaryl compound SUMITOMO CHEMICAL COMPANY, LIMITED 2004-08-12 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 (2 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-20040158093-A1 Process for preparing a biaryl compound CYP1B1, REL, CYP2F1 ATM 4601/4885CTSL 4133/4885CTSS 3179/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 ATM 4386/4885CTSL 2260/4885CTSS 687/4885

“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.