SCHEMBL2017846

SCHEMBL2017846

CCOC(=O)/C(=C/[C@H]1C[C@@H](F)[C@@H](F)C1)c1ccc(S(C)(=O)=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 6/20 0.39
PTGS2 P35354 3/20 0.38
AKR1C2 P52895 1/20 0.38
AKR1C1 Q04828 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GCK P35557 1/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL2023720 1.00 AKR1C3 (0.39) AKR1C3PTGS2AKR1C2AKR1C1SMN1; SMN2
SCHEMBL2023721 1.00 AKR1C3 (0.39) AKR1C3PTGS2AKR1C2AKR1C1SMN1; SMN2
SCHEMBL12574363 1.00 AKR1C3 (0.39) AKR1C3PTGS2AKR1C2AKR1C1SMN1; SMN2
SCHEMBL2023670 0.91 KMT2A (0.36) SMN1; SMN2ALDH1A1
SCHEMBL2023672 0.91 KMT2A (0.36) SMN1; SMN2ALDH1A1
SCHEMBL2018405 0.87 HTT (0.35) SMN1; SMN2GCKALDH1A1
SCHEMBL2513636 0.87 HTT (0.35) SMN1; SMN2GCKALDH1A1
SCHEMBL2018407 0.87 HTT (0.35) SMN1; SMN2GCKALDH1A1
SCHEMBL2513640 0.87 HTT (0.35) SMN1; SMN2GCKALDH1A1
SCHEMBL12574526 0.87 ALDH1A1 (0.39) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9452977-B2 Cyclopentylacrylamide derivative KYORIN PHARMACEUTICAL CO., LTD. (JP) 2016-09-27 US disclosed
US-9452977-B2 Cyclopentylacrylamide derivative KYORIN PHARMACEUTICAL CO., LTD. (JP) 2016-09-27 US disclosed
US-9452977-B2 Cyclopentylacrylamide derivative KYORIN PHARMACEUTICAL CO., LTD. (JP) 2016-09-27 US disclosed
US-20150105581-A1 CYCLOPENTYLACRYLAMIDE DERIVATIVE TEIJIN LIMITED (JP) 2015-04-16 US disclosed
US-20150105581-A1 CYCLOPENTYLACRYLAMIDE DERIVATIVE TEIJIN LIMITED (JP) 2015-04-16 US disclosed
US-20150105581-A1 CYCLOPENTYLACRYLAMIDE DERIVATIVE TEIJIN LIMITED (JP) 2015-04-16 US disclosed
US-8946440-B2 Cyclopentylacrylamide derivative KYORIN PHARMACEUTICAL CO., LTD. (JP) 2015-02-03 US disclosed
US-8946440-B2 Cyclopentylacrylamide derivative KYORIN PHARMACEUTICAL CO., LTD. (JP) 2015-02-03 US disclosed
US-8946440-B2 Cyclopentylacrylamide derivative KYORIN PHARMACEUTICAL CO., LTD. (JP) 2015-02-03 US disclosed
US-20110160211-A1 CYCLOPENTYLACRYLAMIDE DERIVATIVE TEIJIN LIMITED (JP) 2011-06-30 US disclosed
US-20110160211-A1 CYCLOPENTYLACRYLAMIDE DERIVATIVE TEIJIN LIMITED (JP) 2011-06-30 US disclosed
US-20110160211-A1 CYCLOPENTYLACRYLAMIDE DERIVATIVE TEIJIN LIMITED (JP) 2011-06-30 US 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 (2 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-20110160211-A1 CYCLOPENTYLACRYLAMIDE DERIVATIVE GPR119, SLC5A1, SLC5A2 AKR1C3 47/4885PTGS2 1562/4885AKR1C2 58/4885
US-20150105581-A1 CYCLOPENTYLACRYLAMIDE DERIVATIVE GPR119, SLC5A1, SLC5A2 AKR1C3 47/4885PTGS2 1562/4885AKR1C2 58/4885

“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.