SCHEMBL6311498

SCHEMBL6311498

CS(=O)(=O)c1ccc(-n2ncc(C(=O)O)c2C2CC2)c(Cl)c1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 16/20 0.51
NFE2L2 Q16236 16/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
LMNA P02545 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.44
USP2 O75604 1/20 0.42
HPGD P15428 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL6320899 0.91 KEAP1 (0.51) KEAP1NFE2L2MEN1KMT2ALMNA
SCHEMBL6668245 0.88 SPR (0.46) KEAP1NFE2L2MEN1KMT2A
SCHEMBL6320767 0.88 KEAP1 (0.50) KEAP1NFE2L2MEN1KMT2ASMN1; SMN2
SCHEMBL6314519 0.88 KEAP1 (0.53) KEAP1NFE2L2MEN1KMT2A
SCHEMBL6312981 0.86 MEN1 (0.48) KEAP1NFE2L2MEN1KMT2ALMNA
SCHEMBL4454477 0.86 SLC9A1 (0.55)
SCHEMBL4454473 0.85 TP53 (0.40) KEAP1NFE2L2MEN1KMT2A
Hydrochloric Acid SCHEMBL6312768 0.85 SLC9A1 (0.54)
Hydrochloric Acid SCHEMBL6312762 0.84 TP53 (0.39) KEAP1NFE2L2MEN1KMT2ASMN1; SMN2
SCHEMBL6319867 0.83 KEAP1 (0.58) KEAP1NFE2L2MEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020082274-A1 Preparation of sodium-hydrogen exchanger type-1 inhibitors LAMBERT JOHN F (US) 2002-06-27 US claimed
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-1456181-A1 METHODS FOR PREPARING SODIUM-HYDROGEN EXCHANGER TYPE-1 INHIBITORS Pfizer Products Inc. (US) 2004-09-15 EP disclosed
US-6753334-B2 PREPARING A PHENYL OR QUINOLINYL HYDRAZINE BY REDUCING THE CORRESPONDING DIAZONIUM SALT WITH ASCORBIC ACID AND HEATING; COLORLESS PRODUCT; INTERMEDIATES TO DRUGS FOR REDUCING TISSUE DAMAGE FROM ISCHEMIA OR HYPOXIA PFIZER, INC. 2004-06-22 US disclosed
US-6627643-B2 Sodium-hydrogen exchanger type 1 (NHE-1) inhibitors of formula I' are useful for the prevention and treatment of myocardial ischemic injury. Myocardial ischemic injury can occur in out-patient in perioperative settings and can lead to sudden PFIZER INC. 2003-09-30 US disclosed
EP-1337508-A1 PREPARATION OF SODIUM-HYDROGEN EXCHANGER TYPE-1 INHIBITORS Pfizer Products Inc. (US) 2003-08-27 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
WO-2003051845-A1 METHODS FOR PREPARING SODIUM-HYDROGEN EXCHANGER TYPE-1 INHIBITORS PFIZER PRODUCTS INC. (US) 2003-06-26 WO disclosed
US-20030119873-A1 METHODS FOR PREPARING SODIUM-HYDROGEN EXCHANGER TYPE-1 INHIBITORS PFIZER INC. 2003-06-26 US disclosed
US-6492401-B1 SODIUM HYDROGEN EXCHANGER TYPE 1 INHIBITORS; REDUCING PERIOPERATIVE MYOCARDIAL TISSUE DAMAGE PFIZER, INC. 2002-12-10 US disclosed
US-20020082274-A1 Preparation of sodium-hydrogen exchanger type-1 inhibitors LAMBERT JOHN F (US) 2002-06-27 US disclosed
WO-2002044133-A1 PREPARATION OF SODIUM-HYDROGEN EXCHANGER TYPE-1 INHIBITORS PFIZER PRODUCTS INC. (US) 2002-06-06 WO disclosed
EP-1056729-A1 N-[(SUBSTITUTED FIVE-MEMBERED DI- OR TRIAZA DIUNSATURATED RING)CARBONYL]GUANIDINE DERIVATIVES FOR THE TREATMENT OF ISCHEMIA Pfizer Products Inc. (US) 2000-12-06 EP disclosed
WO-1999043663-A1 N-[(SUBSTITUTED FIVE-MEMBERED DI- OR TRIAZA DIUNSATURATED RING)CARBONYL] GUANIDINE DERIVATIVES FOR THE TREATMENT OF ISCHEMIA PFIZER PRODUCTS INC. (US) 1999-09-02 WO 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-20030119873-A1 METHODS FOR PREPARING SODIUM-HYDROGEN EXCHANGER TYPE-1 INHIBITORS NHERF1, SLC9A1, SLC9A2 KEAP1 1213/4885NFE2L2 4036/4885MEN1 393/4885
US-20020082274-A1 Preparation of sodium-hydrogen exchanger type-1 inhibitors SLC9A1, NHERF1, SLC9A5 KEAP1 919/4885NFE2L2 3366/4885MEN1 592/4885
US-20030149043-A1 N-[(substituted five-membered di-or triaza diunsaturated ring)carbonyl] guanidine derivatives for the treatment of ischemia NHERF1, SLC28A1, TNNI3 KEAP1 313/4885NFE2L2 450/4885MEN1 4475/4885

“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.