SCHEMBL9977997

SCHEMBL9977997

CC(C)(C(=O)NCCSc1ccccc1)S(=O)(=O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.50
RAB9A P51151 6/20 0.50
ALDH1A1 P00352 4/20 0.50
CNR2 P34972 4/20 0.49
MTNR1A P48039 1/20 0.48
MTNR1B P49286 1/20 0.48
SMN1; SMN2 Q16637 6/20 0.47
RECQL P46063 1/20 0.47
CNR1 P21554 2/20 0.47
NFKB1 P19838 2/20 0.43
NFKB2 Q00653 2/20 0.43
RELA Q04206 2/20 0.43
HPGD P15428 3/20 0.43
GAA P10253 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
CASP3 P42574 1/20 0.43
SENP8 Q96LD8 1/20 0.43

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
SCHEMBL14241873 0.88 CNR2 (0.46) NPC1RAB9AALDH1A1CNR2MTNR1A
SCHEMBL9978180 0.86 CNR2 (0.52) NPC1RAB9ACNR2SMN1; SMN2CNR1
SCHEMBL9937741 0.84 CNR1 (0.50) NPC1RAB9AALDH1A1CNR2MTNR1A
SCHEMBL12518241 0.83 CNR2 (0.53) NPC1RAB9AALDH1A1CNR2SMN1; SMN2
SCHEMBL12519209 0.82 CNR2 (0.55) ALDH1A1CNR2CNR1HPGDCYP3A4
SCHEMBL12518055 0.82 RAB9A (0.48) NPC1RAB9AALDH1A1CNR2MTNR1A
SCHEMBL2224923 0.82 NPC1 (0.52) NPC1RAB9AALDH1A1CNR2MTNR1A
SCHEMBL9978172 0.81 POLB (0.56) NPC1RAB9ACNR2CNR1CYP2C9
SCHEMBL12519186 0.80 TEAD1 (0.55) ALDH1A1CNR2SMN1; SMN2CNR1GAA
SCHEMBL9978045 0.78 CNR1 (0.48) ALDH1A1CNR2CNR1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9315454-B2 Compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-04-19 US disclosed
US-20120316173-A1 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-13 US disclosed
WO-2012079164-A1 ACTIVATORS OF CYLINDRICAL PROTEASES THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2012-06-21 WO disclosed
WO-2011088015-A1 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-07-21 WO 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 (1 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-20120316173-A1 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR CNR2, CNR1, OPRL1 NPC1 1253/4885RAB9A 2288/4885ALDH1A1 2203/4885

“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.