SCHEMBL1808104

SCHEMBL1808104

O=C(NCCc1ccccc1Cl)c1noc2c1CCc1cc(CN3CC(C(=O)O)C3)ccc1-2

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 15/20 0.59
S1PR3 Q99500 10/20 0.58
RAB9A P51151 3/20 0.56
HSD17B10 Q99714 2/20 0.56
MAPK1 P28482 2/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
CYP3A4 P08684 1/20 0.54
CYP2C8 P10632 1/20 0.54
KCNH2 Q12809 1/20 0.54
MAPT P10636 3/20 0.49
TSHR P16473 2/20 0.49
LMNA P02545 1/20 0.49
GAA P10253 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
NPC1 O15118 2/20 0.49
TP53 P04637 1/20 0.49
GLA P06280 1/20 0.49

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
SCHEMBL21369292 0.93 RAB9A (0.53) S1PR1S1PR3RAB9AHSD17B10MAPK1
SCHEMBL1816395 0.92 S1PR1 (0.57) S1PR1S1PR3RAB9AHSD17B10MAPK1
SCHEMBL1814499 0.92 RAB9A (0.67) S1PR1S1PR3RAB9AHSD17B10MAPK1
SCHEMBL1811508 0.89 S1PR1 (0.57) S1PR1S1PR3RAB9AHSD17B10MAPK1
SCHEMBL1812390 0.89 S1PR1 (0.61) S1PR1S1PR3RAB9AHSD17B10MAPK1
SCHEMBL21369298 0.87 S1PR1 (0.61) S1PR1S1PR3RAB9AHSD17B10MAPK1
SCHEMBL1807494 0.85 S1PR1 (0.57) S1PR1S1PR3HSD17B10CYP3A4CYP2C8
SCHEMBL1815111 0.85 ALDH1A1 (0.66) S1PR1S1PR3HSD17B10CYP3A4CYP2C8
SCHEMBL1811689 0.84 S1PR1 (0.58) S1PR1S1PR3RAB9AHSD17B10MAPK1
SCHEMBL1816689 0.84 S1PR1 (0.57) S1PR1S1PR3RAB9AHSD17B10MAPK1

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 claimed
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
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
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 2/4885RAB9A 2010/4885

“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.