SCHEMBL1808329

SCHEMBL1808329

CC(C)(C)OC(=O)N1CC2C(=NOC2(O)c2onc(-c3ccccc3)c2C(F)(F)F)c2ccc(Br)cc21

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 11/20 0.35
RORC P51449 2/20 0.34
S1PR3 Q99500 6/20 0.34
KCNH2 Q12809 2/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C8 P10632 1/20 0.34
GABRA5 P31644 1/20 0.32
USP30 Q70CQ3 2/20 0.32
PDK2 Q15119 1/20 0.32
HDAC6 Q9UBN7 2/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
CCNB2 O95067 1/20 0.32
CDK1 P06493 1/20 0.32
CCNB1 P14635 1/20 0.32
GSK3B P49841 1/20 0.32
CCNB3 Q8WWL7 1/20 0.32

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
SCHEMBL12000577 0.90 RORC (0.35) RORCGABRA5USP30CCNB2CDK1
SCHEMBL11971582 0.90 S1PR1 (0.37) S1PR1S1PR3KCNH2CYP3A4CYP2C8
SCHEMBL1804496 0.75 S1PR1 (0.52) S1PR1S1PR3KCNH2CYP3A4CYP2C8
SCHEMBL1812347 0.67 S1PR1 (0.36) S1PR1S1PR3KCNH2CYP3A4CYP2C8
SCHEMBL1817882 0.66 S1PR1 (0.33) S1PR1
SCHEMBL1819949 0.65 S1PR1 (0.55) S1PR1S1PR3KCNH2CYP3A4CYP2C8
SCHEMBL1813406 0.63 PTGS1 (0.35) S1PR1S1PR3GABRA5PDK2
SCHEMBL31693867 0.59 RORC (0.47) RORCUSP30
SCHEMBL17792475 0.59 USP30 (0.44) RORCUSP30CCNB2CDK1CCNB1
SCHEMBL25072453 0.59 RORC (0.46) RORC

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 1/4885RORC 581/4885S1PR3 2/4885

“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.