SCHEMBL2065043

SCHEMBL2065043

Cc1cc(-c2nc(-c3cc(C)c(CCC(=O)O)c(C)c3)no2)sc1C=O

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 15/20 0.50
S1PR3 Q99500 12/20 0.45
S1PR5 Q9H228 8/20 0.45
RARA P10276 1/20 0.41
RARB P10826 1/20 0.41
RARG P13631 1/20 0.41
FFAR1 O14842 1/20 0.36
LMNA P02545 1/20 0.35
ATM Q13315 1/20 0.35
TSHR P16473 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
SCHEMBL2064428 0.87 S1PR1 (0.56) S1PR1S1PR3S1PR5RARARARB
SCHEMBL2066192 0.84 S1PR1 (0.49) S1PR1S1PR3S1PR5RARARARB
SCHEMBL2064317 0.83 S1PR1 (0.55) S1PR1S1PR3S1PR5
SCHEMBL884097 0.80 S1PR1 (0.45) S1PR1S1PR3S1PR5RARARARB
SCHEMBL2066439 0.78 S1PR1 (0.57) S1PR1S1PR3S1PR5FFAR1LMNA
SCHEMBL2065231 0.77 S1PR1 (0.54) S1PR1S1PR3S1PR5RARARARB
SCHEMBL2064413 0.77 S1PR1 (0.49) S1PR1S1PR3S1PR5
SCHEMBL2064030 0.75 S1PR1 (0.52) S1PR1S1PR3S1PR5
SCHEMBL884307 0.74 S1PR1 (0.57) S1PR1S1PR3S1PR5
Formic Acid SCHEMBL2064092 0.74 S1PR1 (0.49) S1PR1S1PR3S1PR5

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2222667-B1 NOVEL THIOPHENE DERIVATIVES AS AGONISTS OF S1P1/EDG1 ACTELION PHARMACEUTICALS LTD (CH) 2013-02-20 EP disclosed
US-8148410-B2 Thiophene derivatives as agonists of S1P1/EDG1 ACTELION PHARMACEUTICALS LTD. (CH) 2012-04-03 US disclosed
US-20100261702-A1 THIOPHENE DERIVATIVES AS AGONISTS OF S1P1/EDG1 ACTELION PHARMACEUTICALS LTD. (CH) 2010-10-14 US disclosed
EP-2222667-A2 NOVEL THIOPHENE DERIVATIVES AS AGONISTS OF S1P1/EDG1 Actelion Pharmaceuticals Ltd. (CH) 2010-09-01 EP disclosed
WO-2009074950-A2 THIOPHENE DERIVATIVES AS AGONISTS OF S1P1/EDG1 ACTELION PHARMACEUTICALS LTD (CH) 2009-06-18 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-20100261702-A1 THIOPHENE DERIVATIVES AS AGONISTS OF S1P1/EDG1 S1PR1, S1PR3, S1PR5 S1PR1 1/4885S1PR3 2/4885S1PR5 3/4885

“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.