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Sugi Predict / Compounds / SCHEMBL3898451

SCHEMBL3898451

SCHEMBL3898451

CC(C)CC(OC(=O)N1CCc2ccccc2C1)C(=O)NC(C)(C#N)OCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABHD6 Q9BV23 1/20 0.42
▸ PSMB1 P20618 1/20 0.42
▸ PSMB2 P49721 1/20 0.42
▸ RECQL P46063 1/20 0.42
▸ TDP1 Q9NUW8 2/20 0.41
▸ TAAR1 Q96RJ0 2/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ MMP8 P22894 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ TMEM97 Q5BJF2 2/20 0.38
▸ SIGMAR1 Q99720 2/20 0.38
▸ MAPT P10636 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ CTSL P07711 2/20 0.37
▸ CTSB P07858 2/20 0.37
▸ CTSK P43235 2/20 0.37
▸ CTSS P25774 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
SCHEMBL3910427 0.93 ABHD6 (0.45) ABHD6PSMB1PSMB2RECQLTDP1
SCHEMBL3909384 0.91 ABHD6 (0.44) ABHD6RECQLTDP1TAAR1MEN1
SCHEMBL3899406 0.90 ABHD6 (0.42) ABHD6RECQLTDP1TAAR1MEN1
SCHEMBL3894601 0.90 ABHD6 (0.45) ABHD6PSMB1PSMB2RECQLTAAR1
SCHEMBL3895583 0.89 ABHD6 (0.46) ABHD6RECQLTDP1TAAR1KMT2A
SCHEMBL3898337 0.88 ABHD6 (0.41) ABHD6RECQLTDP1TAAR1MMP8
SCHEMBL3897434 0.85 CTSS (0.48) MEN1KMT2AALDH1A1CTSLCTSB
SCHEMBL3898458 0.80 CTSS (0.56) PSMB1PSMB2CTSLCTSBCTSK
SCHEMBL3900253 0.79 CTSL (0.46) CTSLCTSBCTSKCTSS
SCHEMBL8895893 0.79 RECQL (0.52) ABHD6PSMB1PSMB2RECQLTDP1

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
EP-1399431-B1 NOVEL NITRILES USEFUL AS REVERSIBLE INHIBITORS OF CYSTEINE PROTEASES BOEHRINGER INGELHEIM PHARMA (US) 2009-02-18 — — EP claimed
US-6982263-B2 Nitriles useful as reversible inhibitors of cysteine proteases BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-01-03 — — US claimed
US-20030119827-A1 Novel nitriles useful as reversible inhibitors of cysteine proteases BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2003-06-26 — — US claimed
WO-2002100849-A2 NOVEL NITRILES USEFUL AS REVERSIBLE INHIBITORS OF CYSTEINE PROTEASES BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2002-12-19 — — WO claimed
EP-1399431-B1 NOVEL NITRILES USEFUL AS REVERSIBLE INHIBITORS OF CYSTEINE PROTEASES BOEHRINGER INGELHEIM PHARMA (US) 2009-02-18 — — EP disclosed
US-6982263-B2 Nitriles useful as reversible inhibitors of cysteine proteases BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-01-03 — — US disclosed
US-20030119827-A1 Novel nitriles useful as reversible inhibitors of cysteine proteases BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2003-06-26 — — 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 (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-20030119827-A1 Novel nitriles useful as reversible inhibitors of cysteine proteases NOS1, CTSK, CTSS ABHD6 4134/4885PSMB1 31/4885PSMB2 57/4885

“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.