SCHEMBL1810561

SCHEMBL1810561

CCCc1ccc(-c2onc3c2COc2cc(C=O)ccc2-3)cc1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 12/20 0.63
S1PR3 Q99500 8/20 0.63
KDM4E B2RXH2 4/20 0.37
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
ALDH1A1 P00352 3/20 0.37
POLB P06746 3/20 0.37
MAPT P10636 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 2/20 0.37
HPGD P15428 1/20 0.37
RAB9A P51151 1/20 0.37
PTK2B Q14289 1/20 0.37
IP6K1 Q92551 1/20 0.35
S1PR4 O95977 1/20 0.35
S1PR5 Q9H228 1/20 0.35

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
SCHEMBL1806468 0.92 S1PR1 (0.63) S1PR1S1PR3KDM4EMEN1KMT2A
SCHEMBL1812078 0.89 S1PR1 (0.60) S1PR1S1PR3MEN1KMT2AS1PR4
SCHEMBL1811496 0.82 S1PR1 (0.59) S1PR1S1PR3KDM4EMEN1KMT2A
SCHEMBL1807245 0.81 S1PR1 (0.60) S1PR1S1PR3MEN1KMT2ANPC1
SCHEMBL12000565 0.78 KDM4E (0.45) S1PR1S1PR3KDM4EMEN1KMT2A
SCHEMBL1809721 0.77 S1PR1 (1.00) S1PR1S1PR3S1PR4S1PR5
SCHEMBL1809788 0.76 S1PR1 (0.64) S1PR1S1PR3NPC1RAB9AS1PR4
SCHEMBL12000559 0.75 S1PR1 (0.44) S1PR1S1PR3KDM4EMEN1KMT2A
SCHEMBL1811348 0.75 S1PR1 (0.61) S1PR1S1PR3KDM4EMEN1KMT2A
SCHEMBL1806932 0.73 S1PR1 (0.62) S1PR1S1PR3KDM4EMEN1KMT2A

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 11 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
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
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 2/4885KDM4E 3800/4885

“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.