SCHEMBL1821735

SCHEMBL1821735

COC(=O)[C@H](Cc1cccc(OS(=O)(=O)c2ccc(C)cc2)c1)NC(C)=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.53
PLAT P00750 1/20 0.53
TACR1 P25103 2/20 0.47
ATM Q13315 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CA12 O43570 2/20 0.45
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CA9 Q16790 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
P2RX7 Q99572 3/20 0.44
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.43
GPR17 Q13304 1/20 0.42
AKR1C3 P42330 1/20 0.42
AKR1C2 P52895 1/20 0.42
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 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
SCHEMBL1823790 0.93 TACR1 (0.48) PLAUPLATTACR1MEN1KMT2A
SCHEMBL1825995 0.91 CA12 (0.54) TACR1ATMCA12CA1CA2
SCHEMBL1822693 0.91 PLAU (0.47) PLAUPLATTACR1MEN1KMT2A
SCHEMBL1829023 0.90 P2RX7 (0.49) PLAUPLATTACR1MEN1KMT2A
SCHEMBL1824553 0.90 TACR1 (0.59) PLAUPLATTACR1P2RX7POLB
SCHEMBL1826066 0.87 P2RX7 (0.53) PLAUPLATATML3MBTL1P2RX7
SCHEMBL12657706 0.87 P2RX7 (0.53) PLAUPLATATML3MBTL1P2RX7
SCHEMBL1822339 0.87 P2RX7 (0.59) PLAUPLATP2RX7ALDH1A1
SCHEMBL1827864 0.87 KDM4E (0.51) PLAUPLATTACR1ATML3MBTL1
SCHEMBL1827866 0.87 KDM4E (0.51) PLAUPLATTACR1ATML3MBTL1

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-2161254-B1 Intermediate for preparing a biaryl compound SUMITOMO CHEMICAL CO (JP) 2014-08-13 EP disclosed
EP-1481967-B1 PROCESS FOR THE PREPARATION OF BIARYL COMPOUNDS SUMITOMO CHEMICAL CO (JP) 2011-05-04 EP disclosed
US-7714157-B2 Process for preparing a biaryl compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-05-11 US disclosed
EP-2161254-A1 Intermediate for preparing a biaryl compound Sumitomo Chemical Company, Limited (JP) 2010-03-10 EP 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 PLAU 4857/4885PLAT 4864/4885TACR1 1743/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 PLAU 4788/4885PLAT 4392/4885TACR1 2452/4885

“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.