SCHEMBL9978172

SCHEMBL9978172

CC(C)(C(=O)NCCCc1ccccc1)S(=O)(=O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.56
CNR2 P34972 4/20 0.50
MC4R P32245 1/20 0.49
MMP8 P22894 2/20 0.49
PLAAT3 P53816 1/20 0.49
PLAAT5 Q96KN8 1/20 0.49
PLAAT2 Q9NWW9 1/20 0.49
PLAAT4 Q9UL19 1/20 0.49
FAAH O00519 1/20 0.48
CNR1 P21554 2/20 0.47
MLYCD O95822 1/20 0.47
SLC6A5 Q9Y345 1/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
TMEM97 Q5BJF2 1/20 0.45
SIGMAR1 Q99720 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44

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
SCHEMBL9978216 0.88 POLB (0.53) POLBCNR2MMP8FAAHRAB9A
SCHEMBL9978174 0.87 POLB (0.60) POLBMMP8PLAAT3PLAAT5PLAAT2
SCHEMBL9978003 0.86 POLB (0.59) POLBMMP8NPC1RAB9AL3MBTL1
SCHEMBL9978171 0.86 POLB (0.59) POLBCNR2MMP8PLAAT3PLAAT5
SCHEMBL9978179 0.84 MMP1 (0.58) POLBMMP8PLAAT3PLAAT5PLAAT2
SCHEMBL9937870 0.84 POLB (0.51) POLBCNR2MC4RMMP8PLAAT3
SCHEMBL12519209 0.83 CNR2 (0.55) POLBCNR2PLAAT3PLAAT5PLAAT2
SCHEMBL9978175 0.83 ALDH1A1 (0.57) POLBMMP8NPC1RAB9ACYP2C9
SCHEMBL2224923 0.81 NPC1 (0.52) POLBCNR2CNR1NPC1RAB9A
SCHEMBL9977997 0.81 NPC1 (0.50) CNR2CNR1NPC1RAB9ACYP2C9

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 3 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

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 POLB 4200/4885CNR2 1/4885MC4R 255/4885

“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.