SCHEMBL3575908

SCHEMBL3575908

COC(=O)CC(CNCc1ccccc1)c1cccc(OS(=O)(=O)c2ccccc2)c1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BCHE P06276 4/20 0.44
MTNR1A P48039 2/20 0.43
MTNR1B P49286 2/20 0.43
F2 P00734 2/20 0.42
F10 P00742 2/20 0.42
PRSS1 P07477 1/20 0.42
FAAH O00519 1/20 0.41
CTSD P07339 3/20 0.41
BACE1 P56817 2/20 0.41
ADRB3 P13945 1/20 0.39
CASR P41180 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
SCHEMBL1826084 0.94 BCHE (0.41) BCHEMTNR1AMTNR1BF2F10
SCHEMBL1823448 0.91 F10 (0.44) BCHEMTNR1AMTNR1BF2F10
SCHEMBL1823043 0.91 BCHE (0.40) BCHEMTNR1AMTNR1BF2F10
SCHEMBL1827260 0.91 FAAH (0.42) BCHEMTNR1AMTNR1BFAAHCTSD
SCHEMBL1824490 0.90 ATM (0.42) BCHEMTNR1AMTNR1BFAAHCTSD
SCHEMBL1824635 0.90 BCHE (0.40) BCHEMTNR1AMTNR1BFAAHADRB3
SCHEMBL1827162 0.90 BCHE (0.45) BCHEMTNR1AMTNR1BF2F10
SCHEMBL1823395 0.89 ALDH1A1 (0.40) BCHEADRB3
SCHEMBL1825021 0.87 F10 (0.42) BCHEMTNR1AMTNR1BF2F10
SCHEMBL1825718 0.86 GPR17 (0.39) BCHEMTNR1AMTNR1BF2F10

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 BCHE 1041/4885MTNR1A 2715/4885MTNR1B 1718/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 BCHE 99/4885MTNR1A 3986/4885MTNR1B 3105/4885

“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.