SCHEMBL1804333

SCHEMBL1804333

O=Cc1ccc2c(c1)OCc1c(-c3onc(-c4ccccc4)c3C(F)(F)F)noc1-2

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 18/20 0.53
S1PR3 Q99500 8/20 0.49
KCNH2 Q12809 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C8 P10632 1/20 0.41
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
KMT2A Q03164 1/20 0.40
IP6K1 Q92551 1/20 0.38

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
SCHEMBL1807776 0.92 S1PR1 (0.62) S1PR1S1PR3KCNH2CYP3A4CYP2C8
SCHEMBL1807707 0.92 S1PR1 (0.53) S1PR1S1PR3KDM4EMEN1NPC1
SCHEMBL1806932 0.88 S1PR1 (0.62) S1PR1S1PR3KCNH2CYP3A4CYP2C8
SCHEMBL12000555 0.84 NPC1 (0.42) S1PR1S1PR3KDM4EMEN1NPC1
SCHEMBL12000543 0.82 S1PR1 (0.63) S1PR1S1PR3KDM4EMEN1NPC1
SCHEMBL1807512 0.82 S1PR1 (0.51) S1PR1S1PR3
SCHEMBL1809086 0.82 S1PR1 (0.62) S1PR1S1PR3KCNH2CYP3A4CYP2C8
SCHEMBL12000559 0.78 S1PR1 (0.44) S1PR1S1PR3KDM4EMEN1NPC1
SCHEMBL1805975 0.78 S1PR1 (0.60) S1PR1S1PR3KCNH2CYP3A4CYP2C8
SCHEMBL1806596 0.77 S1PR1 (0.87) S1PR1S1PR3KCNH2CYP3A4CYP2C8

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
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-2597089-A1 Tricyclic heterocyclic compounds Bristol-Myers Squibb Company (US) 2013-05-29 EP disclosed
EP-2597089-A1 Tricyclic heterocyclic compounds Bristol-Myers Squibb Company (US) 2013-05-29 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
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 2/4885KCNH2 542/4885

“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.