SCHEMBL2065046

SCHEMBL2065046

O=Cc1onnc1-c1cccs1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 1/20 0.40
▸ ERN1 O75460 2/20 0.40
▸ RPS6KB2 Q9UBS0 4/20 0.38
▸ LMNA P02545 2/20 0.37
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ TDO2 P48775 1/20 0.36
▸ ALDH1A1 P00352 6/20 0.35
▸ KDM4E B2RXH2 4/20 0.35
▸ HPGD P15428 3/20 0.35
▸ MAPT P10636 2/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ RAB9A P51151 3/20 0.35
▸ HSD17B10 Q99714 3/20 0.35
▸ NPC1 O15118 2/20 0.35
▸ CYP1A2 P05177 2/20 0.35
▸ CYP2D6 P10635 2/20 0.35
▸ CYP2C9 P11712 2/20 0.35
▸ CYP2C19 P33261 2/20 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
SCHEMBL2064775 0.70 LTA4H (0.45) RPS6KB2LMNAMEN1KMT2ATDO2
SCHEMBL2066554 0.70 ALDH1A1 (0.42) RPS6KB2MEN1KMT2AALDH1A1KDM4E
SCHEMBL2066557 0.67 KDM4E (0.45) RPS6KB2MEN1KMT2AALDH1A1KDM4E
SCHEMBL28975849 0.66 KDM4E (0.62) MEN1KMT2AALDH1A1KDM4EHPGD
SCHEMBL820251 0.65 RPS6KB2 (0.50) RPS6KB2MEN1KMT2AALDH1A1KDM4E
SCHEMBL15635609 0.65 HSD17B10 (0.40) DPP4ERN1RPS6KB2LMNAMEN1
SCHEMBL620758 0.64 RAB9A (0.48) LMNAMEN1KMT2AALDH1A1KDM4E
SCHEMBL1337388 0.63 ERN1 (0.43) DPP4ERN1RPS6KB2LMNAMEN1
SCHEMBL2108933 0.63 NPC1 (0.51) LMNAKMT2AALDH1A1KDM4EMAPT
SCHEMBL2162823 0.62 MAPT (0.46) DPP4LMNAMEN1KMT2AALDH1A1

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 DPP4 1652/4885ERN1 616/4885RPS6KB2 3542/4885

“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.

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