SCHEMBL6395293

SCHEMBL6395293

CC(C)C(NCc1ccc2c(c1)OCO2)C(=O)OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
ACE P12821 1/20 0.55
ALDH1A1 P00352 5/20 0.54
TSHR P16473 3/20 0.54
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
TP53 P04637 1/20 0.54
MAPT P10636 1/20 0.54
ATM Q13315 1/20 0.54
CYP3A4 P08684 1/20 0.53
HPGD P15428 4/20 0.53
HTT P42858 1/20 0.51
HRH4 Q9H3N8 1/20 0.49
KDM4E B2RXH2 1/20 0.49
EDNRA P25101 1/20 0.48

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
SCHEMBL6395296 1.00 MEN1 (0.56) MEN1KMT2AACEALDH1A1TSHR
SCHEMBL31053868 0.79 CYP3A4 (0.77) ALDH1A1NPC1RAB9ASMN1; SMN2CYP3A4
SCHEMBL1171492 0.79 CYP3A4 (0.77) ALDH1A1NPC1RAB9ASMN1; SMN2CYP3A4
SCHEMBL31171638 0.76 ACE (0.58) ACEALDH1A1TSHRNPC1RAB9A
SCHEMBL31171631 0.76 ACE (0.58) ACEALDH1A1TSHRNPC1RAB9A
SCHEMBL19326702 0.76 MEN1 (0.61) MEN1KMT2AALDH1A1TSHRNPC1
SCHEMBL19326700 0.76 MEN1 (0.61) MEN1KMT2AALDH1A1TSHRNPC1
SCHEMBL6800842 0.74 ACE (0.61) ACEALDH1A1TSHRNPC1RAB9A
SCHEMBL16798976 0.74 HSD17B10 (0.59) MEN1KMT2AALDH1A1TSHRNPC1
SCHEMBL11343509 0.74 HPGD (0.60) MEN1KMT2AACEALDH1A1NPC1

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-6844366-B2 Sulfonamide hydroxamates SYNTEX (U.S.A.) LLC (US) 2005-01-18 US disclosed
US-6787559-B2 HYDROXYCARBONYL OR ALKYLOXYCARBONYL OR AMINOHYDROXYCARBONYL SUBSTITUTED SULFONAMIDE COMPOUNDS USEFUL AS PROCOLLAGEN C-PROTENASE INHIBITOR SYNTEX (U.S.A.) LLC. 2004-09-07 US disclosed
EP-1149072-B1 SULFONAMIDE HYDROXAMATES HOFFMANN LA ROCHE (CH) 2004-06-30 EP disclosed
US-20030216405-A1 Hydroxycarbonyl or alkyloxycarbonyl or aminohydroxycarbonyl substituted sulfonamide compounds useful as procollagen C-protenase inhibitor BILLLEDEAU ROLAND JOSEPH (US) 2003-11-20 US disclosed
US-20030199520-A1 Sulfonamide hydroxamates BILLLEDEAU ROLAND JOSEPH (US) 2003-10-23 US disclosed
US-6492394-B1 PROCOLLAGEN C-PROTEINASE INHIBITORS; TREATING FIBROTIC DISEASES SYNTEX (U.S.A.) LLC 2002-12-10 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-20030216405-A1 Hydroxycarbonyl or alkyloxycarbonyl or aminohydroxycarbonyl substituted sulfonamide compounds useful as procollagen C-protenase inhibitor CTSE, PREP, HPN MEN1 3614/4885KMT2A 2264/4885ACE 111/4885
US-20030199520-A1 Sulfonamide hydroxamates MMP3, TIMP3, MMP13 MEN1 3717/4885KMT2A 1614/4885ACE 142/4885

“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.