Sugi Predict

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SCHEMBL4043814

SCHEMBL4043814

C=Cc1ccc(C(=O)NC(CC(C)C)C(=O)N2CCC3C2C(=O)CN3S(=O)(=O)C(=O)c2ccccn2)cc1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 15/20 0.51
▸ TAS1R3 Q7RTX0 1/20 0.41
▸ TAS1R1 Q7RTX1 1/20 0.41
▸ CTSS P25774 5/20 0.40
▸ CTSL P07711 4/20 0.38
▸ CTSB P07858 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.37
▸ PSMB5 P28074 1/20 0.36
▸ CCR1 P32246 1/20 0.36

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
SCHEMBL4046421 0.92 CTSK (0.42) CTSKTAS1R3TAS1R1CTSSCTSL
SCHEMBL4043898 0.91 CTSK (0.54) CTSKCTSSCTSLCTSBKDM4E
SCHEMBL4041703 0.91 CTSK (0.53) CTSKCTSSCTSLCTSBKDM4E
SCHEMBL4044816 0.90 CTSK (0.65) CTSKCTSSCTSLCTSBKDM4E
SCHEMBL4044423 0.89 CTSK (0.65) CTSKCTSSCTSLCTSBKDM4E
SCHEMBL4038930 0.89 CTSK (0.52) CTSKCTSSCTSLCTSBALDH1A1
SCHEMBL4045073 0.89 CTSK (0.56) CTSKCTSSCTSLCTSBKDM4E
SCHEMBL4043545 0.89 CTSK (0.53) CTSKTAS1R3TAS1R1CTSSCTSL
SCHEMBL4037573 0.89 CTSK (0.57) CTSKCTSSCTSL
SCHEMBL4040733 0.89 CTSK (0.53) CTSKCTSSCTSLCTSBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1546150-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 — — EP claimed
US-20060100431-A1 Biologically active compounds AMURA THERAPEUTICS LIMITED (GB) 2006-05-11 — — US claimed
EP-1546150-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 — — EP disclosed
EP-1436291-B1 INDOLIZINES AS KINASE PROTEIN INHIBITORS AVENTIS PHARMA SA (FR) 2009-01-14 — — EP disclosed
US-20070238734-A1 JNK INHIBITORS SANOLI-AVENTIS (FR) 2007-10-11 — — US disclosed
US-7148215-B2 Prodrugs as antihistamines or anticarcinogenic agents AVENTIS PHARMA S.A. (FR) 2006-12-12 — — US disclosed
US-20060100431-A1 Biologically active compounds AMURA THERAPEUTICS LIMITED (GB) 2006-05-11 — — US disclosed
US-20050009831-A1 Pyrrolo[1,2-a]pyrazine-8-carboxamides are JNK inhibitors, useful as anticarcinogenic agents AVENTIS PHARMA S.A, (FR) 2005-01-13 — — 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 (3 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-20070238734-A1 JNK INHIBITORS MAP3K7, MAPKAPK2, MAPK7 CTSK 1880/4885TAS1R3 4527/4885TAS1R1 4248/4885
US-20050009831-A1 Pyrrolo[1,2-a]pyrazine-8-carboxamides are JNK inhibitors, useful as anticarcinogenic agents CNKSR1, ROS1, NRAS CTSK 2460/4885TAS1R3 1711/4885TAS1R1 1755/4885
US-20060100431-A1 Biologically active compounds SOST, CTSK, CTSS CTSK 2/4885TAS1R3 2219/4885TAS1R1 2032/4885

“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.