SCHEMBL1293296

SCHEMBL1293296

CC(C)Oc1ccc(-c2nnc(N)s2)cc1Cl

nearest known ligand 0.71

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 17/20 0.71
S1PR3 Q99500 1/20 0.71
KDM4E B2RXH2 3/20 0.61
ALDH1A1 P00352 1/20 0.61
MAPT P10636 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
NPC1 O15118 1/20 0.57
HPGD P15428 1/20 0.57
RAB9A P51151 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
MGAM O43451 1/20 0.50
GAA P10253 1/20 0.50
SI P14410 1/20 0.50
MGAM2 Q2M2H8 1/20 0.50
NOTUM Q6P988 1/20 0.50

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
SCHEMBL2605762 0.86 KDM4E (0.53) S1PR1S1PR3KDM4EALDH1A1MAPT
SCHEMBL1293503 0.84 S1PR1 (0.73) S1PR1S1PR3
SCHEMBL12102353 0.84 SMN1; SMN2 (0.51) S1PR1S1PR3KDM4EALDH1A1MAPT
SCHEMBL2606636 0.84 S1PR1 (0.68) S1PR1S1PR3
SCHEMBL13020134 0.83 S1PR1 (0.71) S1PR1S1PR3
SCHEMBL1293019 0.80 RXRA (0.50) S1PR1S1PR3KDM4EALDH1A1MAPT
SCHEMBL2115714 0.80 XDH (0.56) S1PR1S1PR3KDM4ENPC1HPGD
SCHEMBL18360139 0.80 S1PR1 (0.67) S1PR1S1PR3
SCHEMBL23292554 0.78 KDM4E (0.56) S1PR1S1PR3KDM4EALDH1A1MAPT
SCHEMBL3433651 0.77 S1PR1 (0.66) S1PR1S1PR3

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2443115-B1 Pyrrolo-pyridine derivatives useful to treat diseases connected to S1P1 receptors GLAXO GROUP LTD (GB) 2013-08-28 EP disclosed
EP-2563785-A1 COMPOUNDS AS AGONISTS OF S1P1 RECEPTORS Glaxo Group Limited (GB) 2013-03-06 EP disclosed
US-8389508-B2 Heterocyclic compounds GLAXO GROUP LIMITED (GB) 2013-03-05 US disclosed
US-8389508-B2 Heterocyclic compounds GLAXO GROUP LIMITED (GB) 2013-03-05 US disclosed
US-8389508-B2 Heterocyclic compounds GLAXO GROUP LIMITED (GB) 2013-03-05 US disclosed
EP-2445891-A1 5-MEMBERED HETEROARYL DERIVATIVES USED AS SPHINGOSINE 1-PHOSPHATE RECEPTOR AGONISTS Glaxo Group Limited (GB) 2012-05-02 EP disclosed
US-20120101086-A1 THIADIAZOLE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF DISORDERS MEDIATED BY S1P1 RECEPTORS GLAXO GROUP LIMITED (GB) 2012-04-26 US disclosed
US-20120101123-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2012-04-26 US disclosed
US-20120101086-A1 THIADIAZOLE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF DISORDERS MEDIATED BY S1P1 RECEPTORS GLAXO GROUP LIMITED (GB) 2012-04-26 US disclosed
US-20120101086-A1 THIADIAZOLE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF DISORDERS MEDIATED BY S1P1 RECEPTORS GLAXO GROUP LIMITED (GB) 2012-04-26 US disclosed
WO-2011134280-A1 COMPOUNDS AS AGONISTS OF S1P1 RECEPTORS GLAXO GROUP LIMITED (GB) 2011-11-03 WO disclosed
WO-2011134280-A1 COMPOUNDS AS AGONISTS OF S1P1 RECEPTORS GLAXO GROUP LIMITED (GB) 2011-11-03 WO disclosed
US-20110269738-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2011-11-03 US disclosed
WO-2010148649-A1 5-MEMBERED HETEROARYL DERIVATIVES USED AS SPHINGOSINE 1-PHOSPHATE RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2010-12-29 WO disclosed
WO-2010148649-A1 5-MEMBERED HETEROARYL DERIVATIVES USED AS SPHINGOSINE 1-PHOSPHATE RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2010-12-29 WO disclosed
WO-2010145202-A1 THIAZOLE OR THIADIZALOE DERIVATIVES FOR USE AS SPHINGOSINE 1-PHOSPHATE 1 (S1P1) RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2010-12-23 WO disclosed
WO-2010145201-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-12-23 WO disclosed
WO-2010145202-A1 THIAZOLE OR THIADIZALOE DERIVATIVES FOR USE AS SPHINGOSINE 1-PHOSPHATE 1 (S1P1) RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2010-12-23 WO disclosed
WO-2010146104-A1 THIADIAZOLE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF DISORDERS MEDIATED BY SLPL RECEPTORS GLAXO GROUP LIMITED (GB) 2010-12-23 WO disclosed
WO-2010146104-A1 THIADIAZOLE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF DISORDERS MEDIATED BY SLPL RECEPTORS GLAXO GROUP LIMITED (GB) 2010-12-23 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 (3 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-20110269738-A1 COMPOUNDS CYP11B2, CYP11B1, GPR119 S1PR1 1075/4885S1PR3 1079/4885KDM4E 3985/4885
US-20120101123-A1 COMPOUNDS CYP11B2, CYP11B1, GPR119 S1PR1 1075/4885S1PR3 1079/4885KDM4E 3985/4885
US-20120101086-A1 THIADIAZOLE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF DISORDERS MEDIATED BY S1P1 RECEPTORS S1PR1, S1PR3, S1PR5 S1PR1 1/4885S1PR3 2/4885KDM4E 4214/4885

“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.