SCHEMBL12400686

SCHEMBL12400686

COC(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)OC

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KYNU Q16719 1/20 0.62
▸ ALDH1A1 P00352 1/20 0.60
▸ ALOX15 P16050 1/20 0.60
▸ CASP1 P29466 5/20 0.56
▸ CTSK P43235 4/20 0.55
▸ CTSS P25774 3/20 0.54
▸ CTSL P07711 2/20 0.54
▸ CTSB P07858 2/20 0.54
▸ TRPM8 Q7Z2W7 1/20 0.53
▸ TACR1 P25103 2/20 0.52

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
SCHEMBL2617394 1.00 KYNU (0.62) KYNUALDH1A1ALOX15CASP1CTSK
SCHEMBL3012469 0.91 CASP1 (0.56) KYNUALDH1A1ALOX15CASP1CTSK
SCHEMBL3012475 0.91 CASP1 (0.56) KYNUALDH1A1ALOX15CASP1CTSK
SCHEMBL8116799 0.91 CASP1 (0.56) KYNUALDH1A1ALOX15CASP1CTSK
SCHEMBL13724740 0.90 CASP1 (0.64) KYNUALDH1A1ALOX15CASP1CTSK
SCHEMBL19695419 0.90 CASP1 (0.64) KYNUALDH1A1ALOX15CASP1CTSK
SCHEMBL1067460 0.90 CASP1 (0.64) KYNUALDH1A1ALOX15CASP1CTSK
SCHEMBL7258336 0.89 KYNU (0.52) KYNUALDH1A1ALOX15CASP1CTSK
SCHEMBL14822417 0.89 CASP1 (0.54) KYNUALDH1A1ALOX15CASP1CTSK
SCHEMBL345952 0.89 ALDH1A1 (0.63) KYNUALDH1A1ALOX15CASP1CTSK

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
US-8729063-B2 3-aminopyrrolidine derivatives as modulators of chemokine receptors INCYTE CORPORATION (US) 2014-05-20 — — US disclosed
US-20130116230-A1 3-AMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE CORPORATION (US) 2013-05-09 — — US disclosed
US-8362003-B2 3-aminopyrrolidine derivatives as modulators of chemokine receptors INCYTE CORPORATION (US) 2013-01-29 — — US disclosed
US-7985730-B2 3-aminopyrrolidine derivatives as modulators of chemokine receptors INCYTE CORPORATION (US) 2011-07-26 — — US disclosed
US-7834021-B2 3-aminopyrrolidine derivatives as modulators of chemokine receptors INCYTE CORPORATION (US) 2010-11-16 — — US disclosed
US-20090247474-A1 3-Aminopyrrolidine Derivatives As Modulators Of Chemokine Receptors INCYTE CORPORATION 2009-10-01 — — 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-20130116230-A1 3-AMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS CCR2, CXCR3, CCR5 KYNU 276/4885ALDH1A1 2447/4885ALOX15 2770/4885
US-20090247474-A1 3-Aminopyrrolidine Derivatives As Modulators Of Chemokine Receptors CCR2, CXCR3, CCR5 KYNU 276/4885ALDH1A1 2447/4885ALOX15 2770/4885

“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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