SCHEMBL6157558

SCHEMBL6157558

CCOC1OC(=O)CC1NC(=O)C(CC(=O)NCCCCc1ccccc1)C(C)C

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.48
HPGD P15428 2/20 0.48
ALDH1A1 P00352 2/20 0.48
CASP1 P29466 2/20 0.47
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
TRPV1 Q8NER1 1/20 0.39
MTNR1A P48039 3/20 0.39
MTNR1B P49286 3/20 0.39
EPHX2 P34913 2/20 0.38
NAAA Q02083 1/20 0.38
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL6157827 0.94 CASP1 (0.43) KMT2AHPGDALDH1A1CASP1TSHR
SCHEMBL6157985 0.86 CASP3 (0.41) CASP1
SCHEMBL6160437 0.85 CASP1 (0.52) CASP1MTNR1AMTNR1B
SCHEMBL6158900 0.83 CASP1 (0.38) KMT2AALDH1A1CASP1MAPT
SCHEMBL6161919 0.80 CASP1 (0.47) KMT2AHPGDCASP1LMNA
SCHEMBL6161964 0.79 CASP1 (0.54) KMT2AHPGDALDH1A1CASP1CYP2C19
SCHEMBL6158761 0.78 CASP1 (0.38) KMT2AALDH1A1CASP1TSHRMAPT
SCHEMBL7487986 0.78 CASP1 (0.55) CASP1
SCHEMBL6157421 0.77 CASP1 (0.41) KMT2ACASP1MTNR1AMTNR1BMAPT
SCHEMBL6158570 0.74 CASP1 (0.49) KMT2AHPGDCASP1MTNR1AMTNR1B

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-1082127-B1 SUCCINAMIDE INHIBITORS OF INTERLEUKIN-1BETA CONVERTING ENZYME WARNER LAMBERT CO (US) 2005-06-22 EP claimed
EP-1082127-B1 SUCCINAMIDE INHIBITORS OF INTERLEUKIN-1BETA CONVERTING ENZYME WARNER LAMBERT CO (US) 2005-06-22 EP disclosed
EP-1075467-B1 PYRAZOLE DERIVATIVES AS P-38 MAP KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2005-03-30 EP disclosed
US-20020156114-A1 Pyrazole derivatives - p38 MAP kinase inhibitors GOLDSTEIN DAVID MICHAEL (US) 2002-10-24 US disclosed
US-6444696-B1 1-ARYL OR HETEROARYL SUBSTITUTED 5-AMINO-4 CARBONYLPYRAZOLE DERIVATIVES; ANTIINFLAMMATORY AGENTS SYNTEX (U.S.A.) LLC 2002-09-03 US disclosed
US-20020103245-A1 Pyrazole derivatives P38 MAP kinase inhibitors GOLDSTEIN DAVID MICHAEL (US) 2002-08-01 US disclosed
US-6376527-B1 ANTIINFLAMMATORY AGENTS; AUTOIMMUNE DISEASES SYNTEX (U.S.A.) LLC 2002-04-23 US disclosed
US-6316466-B1 Pyrazole derivatives P-38 MAP kinase inhibitors SYNTEX (U.S.A.) LLC 2001-11-13 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 (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-20020103245-A1 Pyrazole derivatives P38 MAP kinase inhibitors MAPK1, MAPK8, MAPKAPK2 KMT2A 3772/4885HPGD 644/4885ALDH1A1 1667/4885
US-20020156114-A1 Pyrazole derivatives - p38 MAP kinase inhibitors MAPK1, MAPK8, MAP3K8 KMT2A 3828/4885HPGD 776/4885ALDH1A1 1575/4885

“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.