SCHEMBL1824635

SCHEMBL1824635

O=C(CC(CNCc1ccccc1)c1cccc(OS(=O)(=O)c2ccccc2)c1)OCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BCHE P06276 6/20 0.40
FAAH O00519 1/20 0.39
CA12 O43570 1/20 0.39
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MTNR1A P48039 2/20 0.38
MTNR1B P49286 2/20 0.38
SPHK2 Q9NRA0 1/20 0.38
SPHK1 Q9NYA1 1/20 0.38
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
CA1 P00915 1/20 0.37
ADRB3 P13945 1/20 0.37

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
SCHEMBL1826707 0.94 LMNA (0.44) BCHECA12MAPTCA1
SCHEMBL1823448 0.91 F10 (0.44) BCHEFAAHSMN1; SMN2MTNR1AMTNR1B
SCHEMBL3575908 0.90 BCHE (0.44) BCHEFAAHMTNR1AMTNR1BADRB3
SCHEMBL1827193 0.89 BCHE (0.43) BCHEFAAHCA12KMT2ASMN1; SMN2
SCHEMBL1826377 0.89 CA12 (0.41) BCHECA12SMN1; SMN2ALDH1A1MAPT
SCHEMBL1827260 0.89 FAAH (0.42) BCHEFAAHKMT2ASMN1; SMN2MTNR1A
SCHEMBL1824502 0.88 MTNR1A (0.42) FAAHCA12KMT2ASMN1; SMN2MTNR1A
SCHEMBL1827258 0.87 MTNR1A (0.53) FAAHCA12KMT2ASMN1; SMN2MTNR1A
SCHEMBL1823043 0.87 BCHE (0.40) BCHEFAAHMTNR1AMTNR1BADRB3
SCHEMBL1825021 0.87 F10 (0.42) BCHEKMT2ASMN1; SMN2MTNR1AMTNR1B

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 BCHE 1041/4885FAAH 2017/4885CA12 1498/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 BCHE 99/4885FAAH 1771/4885CA12 670/4885

“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.