SCHEMBL1813301

SCHEMBL1813301

COc1ccc2c(c1)C(F)(F)Cc1c-2noc1-c1noc(-c2ccccc2)c1C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 15/20 0.44
S1PR3 Q99500 9/20 0.44
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
PDK2 Q15119 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C8 P10632 1/20 0.36
KCNH2 Q12809 1/20 0.36

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
SCHEMBL1814005 0.88 S1PR1 (0.44) S1PR1S1PR3CYP3A4CYP2C8KCNH2
SCHEMBL1817015 0.85 S1PR1 (0.48) S1PR1S1PR3CYP3A4CYP2C8KCNH2
Hydrogen Sulfide SCHEMBL21369242 0.84 S1PR1 (0.40) S1PR1S1PR3CYP3A4CYP2C8KCNH2
SCHEMBL1815415 0.82 S1PR1 (0.46) S1PR1S1PR3KDM4EMEN1KMT2A
SCHEMBL1815232 0.82 S1PR1 (0.44) S1PR1S1PR3CYP3A4CYP2C8KCNH2
SCHEMBL1814457 0.81 S1PR1 (0.61) S1PR1S1PR3CYP1A2CYP2D6RAB9A
SCHEMBL1814809 0.79 S1PR1 (0.49) S1PR1S1PR3CYP1A2CYP2D6
SCHEMBL1814165 0.75 S1PR1 (0.76) S1PR1S1PR3CYP3A4CYP2C8KCNH2
SCHEMBL1811284 0.75 CYP1A2 (0.59) S1PR1S1PR3CYP1A2CYP2D6RAB9A
SCHEMBL11971429 0.70 S1PR1 (0.53) S1PR1S1PR3CYP1A2CYP2D6RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2592071-B1 Tricyclic heterocyclic compounds BRISTOL MYERS SQUIBB CO (US) 2019-09-18 EP disclosed
EP-2592071-B1 Tricyclic heterocyclic compounds BRISTOL MYERS SQUIBB CO (US) 2019-09-18 EP disclosed
US-9216972-B2 Tricyclic heterocyclic compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2015-12-22 US disclosed
US-9216972-B2 Tricyclic heterocyclic compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2015-12-22 US disclosed
US-9216972-B2 Tricyclic heterocyclic compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2015-12-22 US disclosed
EP-2592071-A1 Tricyclic heterocyclic compounds Bristol-Myers Squibb Company (US) 2013-05-15 EP disclosed
EP-2592071-A1 Tricyclic heterocyclic compounds Bristol-Myers Squibb Company (US) 2013-05-15 EP disclosed
EP-2493866-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS Bristol-Myers Squibb Company (US) 2012-09-05 EP disclosed
US-20120214767-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY 2012-08-23 US disclosed
US-20120214767-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY 2012-08-23 US disclosed
US-20120214767-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY 2012-08-23 US disclosed
WO-2011059784-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-05-19 WO disclosed
WO-2011059784-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-05-19 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-20120214767-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS S1PR1, S1PR3, TBXA2R S1PR1 1/4885S1PR3 2/4885CYP1A2 1442/4885

“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.