SCHEMBL1822874

SCHEMBL1822874

CS(=O)(=O)Oc1cccc(C(CNC(=O)OCc2ccccc2)CC(=O)OCc2ccccc2)c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.45
MTNR1B P49286 2/20 0.45
CASP1 P29466 2/20 0.41
CA1 P00915 4/20 0.41
CA2 P00918 4/20 0.41
ACHE P22303 3/20 0.41
SYK P43405 1/20 0.40
CA12 O43570 1/20 0.40
CA9 Q16790 1/20 0.40
CTSL P07711 1/20 0.39
CTSS P25774 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KMT2A Q03164 1/20 0.39
LMNA P02545 1/20 0.39
FAAH O00519 1/20 0.39
PPARG P37231 1/20 0.39
MGLL Q99685 1/20 0.38
ADRB2 P07550 1/20 0.38
ADRB3 P13945 1/20 0.38

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
SCHEMBL3578422 0.95 MTNR1A (0.44) MTNR1AMTNR1BCASP1CA1CA2
SCHEMBL1825669 0.95 MTNR1A (0.47) MTNR1AMTNR1BCASP1CA1CA2
SCHEMBL1826720 0.92 MTNR1A (0.42) MTNR1AMTNR1BCASP1CA1CA2
SCHEMBL3570140 0.92 MTNR1A (0.55) MTNR1AMTNR1BSMN1; SMN2KMT2ALMNA
SCHEMBL3572876 0.92 SYK (0.50) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL1828933 0.92 SYK (0.48) MTNR1AMTNR1BCASP1CA1CA2
SCHEMBL1824502 0.89 MTNR1A (0.42) MTNR1AMTNR1BCASP1CA1CA2
SCHEMBL3574266 0.89 CASP3 (0.42) MTNR1AMTNR1BCASP1KMT2A
SCHEMBL1824369 0.89 CA1 (0.47) CASP1CA1CA2ACHESYK
SCHEMBL1827193 0.88 BCHE (0.43) MTNR1AMTNR1BCA12SMN1; SMN2KMT2A

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 MTNR1A 2715/4885MTNR1B 1718/4885CASP1 1533/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 MTNR1A 3986/4885MTNR1B 3105/4885CASP1 1903/4885

“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.