SCHEMBL2290986

SCHEMBL2290986

CC(C)Cc1csc(C(=O)O)c1CC(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.42
LMNA P02545 6/20 0.42
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
HPGD P15428 5/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
MAPT P10636 3/20 0.42
CRHBP P24387 2/20 0.42
HTT P42858 2/20 0.42
CRHR2 Q13324 2/20 0.42
POLB P06746 2/20 0.41
MAPK1 P28482 1/20 0.41
GFER P55789 1/20 0.39
ATM Q13315 1/20 0.38
CYP2C9 P11712 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
TSHR P16473 1/20 0.37
CYP2C19 P33261 1/20 0.37
GAA P10253 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
SCHEMBL2293841 0.90 ALDH1A1 (0.42) ALDH1A1LMNAMEN1KMT2AHPGD
SCHEMBL2292082 0.87 ALDH1A1 (0.40) ALDH1A1LMNAMEN1KMT2AHPGD
SCHEMBL2293736 0.86 ALDH1A1 (0.41) ALDH1A1LMNAMEN1KMT2AHPGD
SCHEMBL2289431 0.82 ALDH1A1 (0.44) ALDH1A1LMNAMEN1KMT2AHPGD
SCHEMBL2294132 0.81 ALDH1A1 (0.41) ALDH1A1LMNAMEN1KMT2AHPGD
SCHEMBL27732205 0.74 ALDH1A1 (0.40) ALDH1A1LMNAMEN1KMT2AHPGD
SCHEMBL2291194 0.73 ALDH1A1 (0.40) ALDH1A1LMNAMEN1KMT2AHPGD
SCHEMBL15285256 0.73 ALDH1A1 (0.39) ALDH1A1LMNAMEN1KMT2AHPGD
SCHEMBL15592327 0.73 LMNA (0.42) ALDH1A1LMNAMEN1KMT2AHPGD
SCHEMBL2289394 0.72 S1PR1 (0.43) ALDH1A1LMNAMEN1KMT2AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1976512-B1 NOVEL THIOPHENE DERIVATIVES AS S1P1/EDG1 RECEPTOR AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2015-09-30 EP disclosed
EP-1976512-B1 NOVEL THIOPHENE DERIVATIVES AS S1P1/EDG1 RECEPTOR AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2015-09-30 EP disclosed
CN-101370496-B Novel thiophene derivatives as S1P1/EDG1 receptor agonists ACTELION PHARMACEUTICALS LTD 2012-07-04 CN disclosed
US-8003800-B2 Thiophene derivatives as S1P1/EDG1 receptor agonists ACTELION PHARMACEUTICALS LTD. (CH) 2011-08-23 US disclosed
US-8003800-B2 Thiophene derivatives as S1P1/EDG1 receptor agonists ACTELION PHARMACEUTICALS LTD. (CH) 2011-08-23 US disclosed
US-8003800-B2 Thiophene derivatives as S1P1/EDG1 receptor agonists ACTELION PHARMACEUTICALS LTD. (CH) 2011-08-23 US disclosed
US-20100240717-A1 NOVEL THIOPHENE DERIVATIVES AS S1P1/EDG1 RECEPTOR AGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2010-09-23 US disclosed
US-20100240717-A1 NOVEL THIOPHENE DERIVATIVES AS S1P1/EDG1 RECEPTOR AGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2010-09-23 US disclosed
US-20100240717-A1 NOVEL THIOPHENE DERIVATIVES AS S1P1/EDG1 RECEPTOR AGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2010-09-23 US disclosed
CN-101370496-A Novel thiophene derivatives as S1P1/EDG1 receptor agonists ACTELION PHARMACEUTICALS LTD (CH) 2009-02-18 CN disclosed
EP-1976512-A1 NOVEL THIOPHENE DERIVATIVES AS S1P1/EDG1 RECEPTOR AGONISTS Actelion Pharmaceuticals Ltd. (CH) 2008-10-08 EP disclosed
WO-2007080542-A1 NOVEL THIOPHENE DERIVATIVES AS S1P1/EDG1 RECEPTOR AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2007-07-19 WO disclosed
WO-2007080542-A1 NOVEL THIOPHENE DERIVATIVES AS S1P1/EDG1 RECEPTOR AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2007-07-19 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-20100240717-A1 NOVEL THIOPHENE DERIVATIVES AS S1P1/EDG1 RECEPTOR AGONISTS S1PR3, S1PR1, S1PR2 ALDH1A1 1713/4885LMNA 4673/4885MEN1 994/4885

“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.