SCHEMBL12379986

SCHEMBL12379986

CCC(O)CNC(=O)CO

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
USP2 O75604 1/20 0.33
TSHR P16473 1/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
POLB P06746 1/20 0.32
S1PR1 P21453 10/20 0.31
S1PR3 Q99500 7/20 0.31
CNR2 P34972 1/20 0.31
ASAH1 Q13510 1/20 0.30

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
SCHEMBL3692879 0.84 MEN1 (0.46) ALDH1A1USP2TSHRLMNAHTT
SCHEMBL16472474 0.83 HDAC7 (0.34) ALDH1A1TSHRLMNAS1PR1S1PR3
SCHEMBL9735094 0.81 LMNA (0.38) ALDH1A1USP2LMNACNR2
SCHEMBL10296844 0.81 LMNA (0.38) ALDH1A1USP2LMNACNR2
SCHEMBL10296842 0.81 LMNA (0.38) ALDH1A1USP2LMNACNR2
SCHEMBL11284773 0.80 ALDH1A1 (0.43) ALDH1A1USP2TSHRLMNAHTT
SCHEMBL17122532 0.79 TSHR (0.34) ALDH1A1USP2TSHRHTT
SCHEMBL19343056 0.78 HPGD (0.43) ALDH1A1HTT
SCHEMBL9736488 0.78 KDM4E (0.42) TSHRS1PR1S1PR3
SCHEMBL16083130 0.78 KDM4E (0.42) TSHRS1PR1S1PR3

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 6 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
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
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 1713/4885USP2 4511/4885TSHR 154/4885

“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.