SCHEMBL1335888

SCHEMBL1335888

OCc1ccc(-c2noc(-c3cnn(-c4ccccn4)c3C(F)(F)F)n2)cc1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 13/20 0.53
HDAC1 Q13547 6/20 0.41
HDAC8 Q9BY41 6/20 0.41
HDAC6 Q9UBN7 6/20 0.41
CHUK O15111 1/20 0.41
TXNRD1 Q16881 1/20 0.41
NOX4 Q9NPH5 1/20 0.41
S1PR3 Q99500 4/20 0.40

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
SCHEMBL1334289 0.86 S1PR1 (0.63) S1PR1CHUKTXNRD1NOX4S1PR3
SCHEMBL12129286 0.85 S1PR1 (0.43) S1PR1S1PR3
SCHEMBL1334839 0.84 S1PR1 (0.51) S1PR1HDAC1HDAC8HDAC6CHUK
SCHEMBL27855413 0.84 MAPT (0.51) S1PR1
SCHEMBL1335722 0.84 S1PR1 (0.62) S1PR1S1PR3
SCHEMBL1335167 0.82 S1PR1 (0.49) S1PR1HDAC1HDAC8HDAC6CHUK
SCHEMBL14237262 0.81 S1PR1 (0.51) S1PR1S1PR3
SCHEMBL14696504 0.74 S1PR1 (0.63) S1PR1HDAC1HDAC8HDAC6CHUK
SCHEMBL1226619 0.74 S1PR1 (0.66) S1PR1S1PR3
SCHEMBL1226614 0.74 S1PR1 (0.66) S1PR1S1PR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8389509-B2 Substituted pyrazole compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2013-03-05 US disclosed
US-8389509-B2 Substituted pyrazole compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2013-03-05 US disclosed
EP-2382211-B1 PYRAZOLE-I, 2, 4 -OXAD IAZOLE DERIVATIVES AS S.PHING0SINE-1-PH0SPHATE AGONISTS BRISTOL MYERS SQUIBB CO (US) 2012-12-19 EP disclosed
EP-2382211-B1 PYRAZOLE-I, 2, 4 -OXAD IAZOLE DERIVATIVES AS S.PHING0SINE-1-PH0SPHATE AGONISTS BRISTOL MYERS SQUIBB CO (US) 2012-12-19 EP disclosed
CN-102361868-A Pyrazole-i, 2, 4 -oxad iazole derivatives as s.phing0sine-1-ph0sphate agonists BRISTOL MYERS SQUIBB CO 2012-02-22 CN disclosed
US-20110275610-A1 SUBSTITUTED PYRAZOLE COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY 2011-11-10 US disclosed
US-20110275610-A1 SUBSTITUTED PYRAZOLE COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY 2011-11-10 US disclosed
EP-2382211-A1 PYRAZOLE-I, 2, 4 -OXAD IAZOLE DERIVATIVES AS S.PHING0SINE-1-PH0SPHATE AGONISTS Bristol-Myers Squibb Company (US) 2011-11-02 EP disclosed
WO-2010085584-A1 PYRAZOLE-I, 2, 4 -OXAD IAZOLE DERIVATIVES AS S.PHING0SINE-1-PH0SPHATE AGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-07-29 WO disclosed
WO-2010085584-A1 PYRAZOLE-I, 2, 4 -OXAD IAZOLE DERIVATIVES AS S.PHING0SINE-1-PH0SPHATE AGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-07-29 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-20110275610-A1 SUBSTITUTED PYRAZOLE COMPOUNDS S1PR3, S1PR1, S1PR4 S1PR1 2/4885HDAC1 1260/4885HDAC8 3079/4885

“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.