SCHEMBL4099033

SCHEMBL4099033

COC(=O)c1ccc(OC(=O)N2C[C@H](CNC(C)c3csc4ccccc34)[C@@H](c3ccccc3)C2)cc1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD17B2 P37059 1/20 0.37
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
PPARG P37231 6/20 0.36
CCR5 P51681 2/20 0.35
MAPT P10636 3/20 0.35
PPARA Q07869 4/20 0.34
GRIN2B Q13224 1/20 0.33
CASR P41180 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
RAB9A P51151 1/20 0.32
TLR2 O60603 1/20 0.32

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
SCHEMBL4102131 0.94 HSD17B2 (0.38) HSD17B2PPARGPPARACASR
SCHEMBL4102125 0.94 HSD17B2 (0.38) HSD17B2PPARGPPARACASR
Hydrochloric Acid SCHEMBL4096494 0.93 HSD17B2 (0.38) HSD17B2PPARGPPARACASR
Hydrochloric Acid SCHEMBL4096489 0.93 HSD17B2 (0.38) HSD17B2PPARGPPARACASR
SCHEMBL1105788 0.88 PPARG (0.37) HSD17B2PPARGPPARACASRRAB9A
SCHEMBL28769341 0.85 HTR2A (0.40) KMT2AMEN1PPARGCCR5MAPT
SCHEMBL1095161 0.81 CASR (0.43) KMT2AMEN1CASR
SCHEMBL4104904 0.80 KMT2A (0.40) KMT2AMEN1PPARGCCR5PPARA
SCHEMBL4111691 0.80 CASR (0.49) CASR
SCHEMBL4095414 0.80 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1882684-B1 PYRROLIDINE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC (JP) 2014-12-10 EP disclosed
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 753/4885KMT2A 3375/4885MEN1 3936/4885

“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.