SCHEMBL3575911

SCHEMBL3575911

COC(=O)CC(c1cccc(OS(=O)(=O)c2ccccc2)c1)C(N)Cc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.41
MTNR1B P49286 2/20 0.41
FAAH O00519 1/20 0.41
KCNA5 P22460 2/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ADRB3 P13945 1/20 0.39
SLC7A5 Q01650 1/20 0.38
F2 P00734 2/20 0.38
F10 P00742 1/20 0.38
PRSS1 P07477 1/20 0.38
BCHE P06276 4/20 0.38
ACHE P22303 4/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
LTA4H P09960 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
SCHEMBL1826085 0.94 PLAU (0.41) MTNR1AMTNR1BKMT2ASMN1; SMN2
SCHEMBL1823045 0.90 BCHE (0.39) MTNR1AMTNR1BFAAHKMT2ASMN1; SMN2
SCHEMBL1823449 0.90 F10 (0.41) MTNR1AMTNR1BFAAHKMT2ASMN1; SMN2
SCHEMBL1827164 0.90 MTNR1A (0.43) MTNR1AMTNR1BFAAHKCNA5KMT2A
SCHEMBL1824492 0.89 CA2 (0.42) FAAHKMT2ASMN1; SMN2ADRB3SLC7A5
SCHEMBL1824638 0.89 SLC15A1 (0.45) FAAHKMT2ASMN1; SMN2ADRB3F2
SCHEMBL1823396 0.89 LTA4H (0.42) KCNA5KMT2ASMN1; SMN2LTA4H
SCHEMBL1825023 0.85 P2RX7 (0.40) KMT2ASMN1; SMN2F10
SCHEMBL1825563 0.85 KMT2A (0.42) FAAHKCNA5KMT2ASMN1; SMN2ADRB3
SCHEMBL1826709 0.85 P2RX7 (0.44) KMT2ASMN1; SMN2CA1

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 MTNR1A 2715/4885MTNR1B 1718/4885FAAH 2017/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 MTNR1A 3986/4885MTNR1B 3105/4885FAAH 1771/4885

“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.