SCHEMBL756323

SCHEMBL756323

NC(=O)[C@@H]1C[C@H](F)CN1C(=O)COS(=O)(=O)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ITGB1 P05556 2/20 0.39
▸ ITGAV P06756 2/20 0.39
▸ CNR2 P34972 4/20 0.39
▸ DPP4 P27487 5/20 0.38
▸ CFD P00746 3/20 0.38
▸ FAP Q12884 2/20 0.36
▸ DPP8 Q6V1X1 2/20 0.36
▸ DPP9 Q86TI2 2/20 0.36
▸ MAOA P21397 3/20 0.36
▸ MAOB P27338 3/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ PIN1 Q13526 1/20 0.36
▸ DPP7 Q9UHL4 1/20 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
SCHEMBL27879394 1.00 ITGB1 (0.39) ITGB1ITGAVCNR2DPP4CFD
SCHEMBL27896298 0.80 DPP4 (0.58) DPP4FAPDPP8DPP9DPP7
SCHEMBL1493786 0.80 DPP4 (0.58) DPP4FAPDPP8DPP9DPP7
SCHEMBL1493744 0.78 DPP4 (0.51) DPP4ALDH1A1
SCHEMBL1493782 0.78 OPRM1 (0.41) CNR2MAOAMAOB
SCHEMBL6167365 0.72 SMN1; SMN2 (0.51) MAOAMAOB
SCHEMBL9928728 0.72 SMN1; SMN2 (0.51) MAOAMAOB
SCHEMBL1150921 0.72 SMN1; SMN2 (0.51) MAOAMAOB
SCHEMBL12757999 0.70 PIN1 (0.40) CNR2DPP4DPP8DPP9MAOA
SCHEMBL1493709 0.70 PIN1 (0.40) CNR2DPP4DPP8DPP9MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143427-B2 Method for producing aminoacetylpyrrolidinecarbonitrile derivative KYORIN PHARMACEUTICAL CO., LTD. (JP) 2012-03-27 — — US disclosed
EP-2123636-B1 METHOD FOR PRODUCING AMINOACETYLPYRROLIDINECARBONITRILE DERIVATIVE KYORIN SEIYAKU KK (JP) 2012-03-21 — — EP disclosed
US-7915427-B2 Process for producing aminoacetyl pyrrolidine carbonitrile derivative and intermediate for production thereof KYORIN PHARMACEUTICALS CO., LTD. (JP) 2011-03-29 — — US disclosed
US-20100099892-A1 METHOD FOR PRODUCING AMINOACETYLPYRROLIDINECARBONITRILE DERIVATIVE KYORIN PHARMACEUTICAL CO. LTD 2010-04-22 — — US disclosed
EP-2123636-A1 METHOD FOR PRODUCING AMINOACETYLPYRROLIDINECARBONITRILE DERIVATIVE Kyorin Pharmaceutical Co., Ltd. (JP) 2009-11-25 — — EP disclosed
US-20090048454-A1 Process for Producing Aminoacetyl Pyrrolidine Carbonitrile Derivative and Intermediate for Production Thereof KYORIN PHARMACEUTICALS CO., LTD. (JP) 2009-02-19 — — US disclosed
EP-1995237-A1 METHOD FOR PRODUCING AMINOACETYLPYRROLIDINECARBONITRILE DERIVATIVE AND PRODUCTION INTERMEDIATE THEREOF Kyorin Pharmaceutical Co., Ltd. (JP) 2008-11-26 — — 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 (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-20100099892-A1 METHOD FOR PRODUCING AMINOACETYLPYRROLIDINECARBONITRILE DERIVATIVE DPP4, DPP7, DPP8 ITGB1 2485/4885ITGAV 1338/4885CNR2 863/4885
US-20090048454-A1 Process for Producing Aminoacetyl Pyrrolidine Carbonitrile Derivative and Intermediate for Production Thereof CBR3, CPS1, CBR1 ITGB1 3747/4885ITGAV 4567/4885CNR2 105/4885

“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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