SCHEMBL6312043

SCHEMBL6312043

CCOC(=O)c1cnn(-c2cc(S(=O)(=O)O)ccc2Cl)c1C1CC1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.52
TP53 P04637 1/20 0.52
KMT2A Q03164 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
MEN1 O00255 2/20 0.50
ALDH1A1 P00352 2/20 0.50
LMNA P02545 1/20 0.50
GAA P10253 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
HTT P42858 1/20 0.44
MAPT P10636 1/20 0.40
KDM4E B2RXH2 2/20 0.40
HPGD P15428 1/20 0.39
KEAP1 Q14145 2/20 0.39
NFE2L2 Q16236 2/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL6313833 0.92 ALDH1A1 (0.48) POLBTP53KMT2ASMN1; SMN2MEN1
SCHEMBL6313187 0.92 POLB (0.52) POLBTP53KMT2ASMN1; SMN2MEN1
SCHEMBL6319259 0.92 ALDH1A1 (0.48) POLBTP53KMT2ASMN1; SMN2MEN1
SCHEMBL6313765 0.91 TP53 (0.47) POLBTP53KMT2ASMN1; SMN2MEN1
SCHEMBL6313598 0.90 TP53 (0.46) POLBTP53KMT2ASMN1; SMN2MEN1
SCHEMBL6312351 0.90 POLB (0.46) POLBTP53KMT2ASMN1; SMN2MEN1
SCHEMBL6314266 0.87 KMT2A (0.56) POLBTP53KMT2ASMN1; SMN2MEN1
SCHEMBL6314912 0.85 ALDH1A1 (0.50) POLBTP53KMT2ASMN1; SMN2MEN1
SCHEMBL6312981 0.84 MEN1 (0.48) POLBTP53KMT2ASMN1; SMN2MEN1
SCHEMBL6312555 0.84 ALDH1A1 (0.49) POLBTP53KMT2ASMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6974813-B2 N-[(substituted five-membered di-or triaza diunsaturated ring) carbonyl] guanidine derivatives for the treatment of ischemia WARNER-LAMBERT COMPANY (US) 2005-12-13 US disclosed
EP-1056729-B1 N-[(SUBSTITUTED FIVE-MEMBERED DI- OR TRIAZA DIUNSATURATED RING)CARBONYL]GUANIDINE DERIVATIVES FOR THE TREATMENT OF ISCHEMIA PFIZER PROD INC (US) 2004-12-29 EP disclosed
EP-1454902-A1 N- (substituted five-membered di-or triaza diunsaturated ring)carbonyl guanidine derivateives for the treatment of ischemia Pfizer Products Inc. (US) 2004-09-08 EP disclosed
US-20030149043-A1 N-[(substituted five-membered di-or triaza diunsaturated ring)carbonyl] guanidine derivatives for the treatment of ischemia PFIZER INC. 2003-08-07 US disclosed
US-6492401-B1 SODIUM HYDROGEN EXCHANGER TYPE 1 INHIBITORS; REDUCING PERIOPERATIVE MYOCARDIAL TISSUE DAMAGE PFIZER, INC. 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 (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-20030149043-A1 N-[(substituted five-membered di-or triaza diunsaturated ring)carbonyl] guanidine derivatives for the treatment of ischemia NHERF1, SLC28A1, TNNI3 POLB 2803/4885TP53 4706/4885KMT2A 3222/4885

“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.