SCHEMBL6319959

SCHEMBL6319959

Cc1nn(-c2ccc(S(C)(=O)=O)cc2)nc1C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.55
KDM4E B2RXH2 4/20 0.51
LMNA P02545 1/20 0.51
ADORA3 P0DMS8 1/20 0.51
ADORA2A P29274 1/20 0.51
ADORA2B P29275 1/20 0.51
ADORA1 P30542 1/20 0.51
KAT2B Q92831 1/20 0.51
ALDH1A1 P00352 2/20 0.45
HPGD P15428 1/20 0.45
TSHR P16473 1/20 0.45
ALOX5 P09917 1/20 0.45
PTGS2 P35354 4/20 0.43
CA12 O43570 1/20 0.42
CA9 Q16790 1/20 0.42
RARA P10276 3/20 0.42
RARB P10826 3/20 0.42
RARG P13631 3/20 0.42
RXRA P19793 3/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.41

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
SCHEMBL6313098 0.87 PKM (0.54) PKMKDM4ELMNAADORA3ADORA2A
SCHEMBL4775643 0.82 KDM4E (0.64) PKMKDM4ELMNAADORA3ADORA2A
Hydrochloric Acid SCHEMBL6313175 0.81 KDM4E (0.48) PKMKDM4ELMNAADORA3ADORA2A
SCHEMBL316035 0.80 KDM4E (0.75) PKMKDM4ELMNAADORA3ADORA2A
SCHEMBL6314841 0.80 PKM (0.72) PKMKDM4ELMNAADORA3ADORA2A
SCHEMBL26843132 0.80 PKM (0.59) PKMKDM4ELMNAADORA3ADORA2A
SCHEMBL15603237 0.80 PKM (0.59) PKMKDM4ELMNAADORA3ADORA2A
Hydrochloric Acid SCHEMBL19118816 0.79 KDM4E (0.73) PKMKDM4ELMNAADORA3ADORA2A
Hydrochloric Acid SCHEMBL6313169 0.78 KDM4E (0.45) PKMKDM4ELMNAADORA3ADORA2A
SCHEMBL6313820 0.77 ALDH1A1 (0.58) PKMKDM4ELMNAADORA3ADORA2A

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
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
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 (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 PKM 3050/4885KDM4E 3920/4885LMNA 1626/4885

“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.