SCHEMBL4102131

SCHEMBL4102131

C[C@@H](NC[C@@H]1CN(C(=O)Oc2ccc(C(=O)O)cc2)C[C@@H]1c1ccccc1)c1csc2ccccc12

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HSD17B2 P37059 1/20 0.38
PPARG P37231 5/20 0.37
CASR P41180 10/20 0.36
PPARA Q07869 3/20 0.35
KDM1A O60341 3/20 0.35
EPHX2 P34913 1/20 0.33

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
SCHEMBL4102125 1.00 HSD17B2 (0.38) HSD17B2PPARGCASRPPARAKDM1A
Hydrochloric Acid SCHEMBL4096489 0.99 HSD17B2 (0.38) HSD17B2PPARGCASRPPARAKDM1A
Hydrochloric Acid SCHEMBL4096494 0.99 HSD17B2 (0.38) HSD17B2PPARGCASRPPARAKDM1A
SCHEMBL4099033 0.94 HSD17B2 (0.37) HSD17B2PPARGCASRPPARA
SCHEMBL1105788 0.93 PPARG (0.37) HSD17B2PPARGCASRPPARAKDM1A
SCHEMBL4111691 0.86 CASR (0.49) CASR
SCHEMBL4111949 0.86 CASR (0.49) CASR
SCHEMBL4095414 0.86 CASR (0.49) CASR
SCHEMBL4111696 0.86 CASR (0.49) CASR
SCHEMBL4095416 0.86 CASR (0.49) CASR

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
US-7585886-B2 Pyrrolidine derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2009-09-08 US claimed
US-20090062366-A1 Pyrrolidine derivative or salt thereof ASTELLAS PHARAMA INC. (JP) 2009-03-05 US claimed
US-7585886-B2 Pyrrolidine derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2009-09-08 US disclosed
US-20090062366-A1 Pyrrolidine derivative or salt thereof ASTELLAS PHARAMA INC. (JP) 2009-03-05 US disclosed
EP-1882684-A1 PYRROLIDINE DERIVATIVE OR SALT THEREOF Astellas Pharma Inc. (JP) 2008-01-30 EP 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-20090062366-A1 Pyrrolidine derivative or salt thereof CASR, CYP2R1, PTH1R HSD17B2 753/4885PPARG 509/4885CASR 1/4885

“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.