SCHEMBL6320901

SCHEMBL6320901

Cc1c(C(=O)O)cnn1-c1ccc(S(N)(=O)=O)cc1

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 9/20 0.54
MAPK1 P28482 1/20 0.52
CA1 P00915 9/20 0.52
CA2 P00918 9/20 0.52
CA9 Q16790 8/20 0.52
CA12 O43570 5/20 0.52
CA5A P35218 2/20 0.49
CA4 P22748 3/20 0.49
PTGS1 P23219 4/20 0.49
SLC9A1 P19634 1/20 0.49
SLC9A2 Q9UBY0 1/20 0.49
LOX P28300 1/20 0.48
CCR1 P32246 1/20 0.46
GRM5 P41594 1/20 0.46

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
SCHEMBL13358957 0.87 CCR1 (0.59) PTGS2MAPK1CA9CA12PTGS1
SCHEMBL6312050 0.83 ALDH1A1 (0.58) CA1CA2CA9CA12CA5A
SCHEMBL13505849 0.82 MAPK1 (0.58) PTGS2MAPK1SLC9A1SLC9A2
Hydrochloric Acid SCHEMBL6314676 0.82 SLC9A1 (0.69) PTGS2MAPK1CA1CA2CA9
SCHEMBL6052256 0.82 MAPK1 (0.61) PTGS2MAPK1SLC9A1SLC9A2
SCHEMBL27692438 0.80 HSD11B1 (0.62) PTGS2MAPK1SLC9A1SLC9A2
Hydrochloric Acid SCHEMBL6314669 0.80 CCR1 (0.47) PTGS2CA1CA2CA9CA12
SCHEMBL27405 0.80 MAPK1 (0.78) PTGS2MAPK1SLC9A1SLC9A2
SCHEMBL15167781 0.79 MAPK1 (0.55) PTGS2MAPK1SLC9A1SLC9A2
SCHEMBL1420155 0.79 KMT2A (0.61) PTGS2MAPK1SLC9A1SLC9A2CCR1

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 9 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-6939880-B2 Compounds with growth hormone releasing properties NOVO NORDISK A/S (DK) 2005-09-06 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-6555570-B2 Growth hormone secretagogous with improved bioavailability NOVO NORDISK A/S (DE) 2003-04-29 US disclosed
US-20030040483-A1 Compounds with growth hormone releasing properties HELSINN THERAPEUTICS (U.S.), INC. 2003-02-27 US disclosed
US-6492401-B1 SODIUM HYDROGEN EXCHANGER TYPE 1 INHIBITORS; REDUCING PERIOPERATIVE MYOCARDIAL TISSUE DAMAGE PFIZER, INC. 2002-12-10 US disclosed
US-6127391-A A PEPTIDE MIMETIC COMPOUND FOR STIMULATING THE RELEASE OF GROWTH HORMONE FROM THE PITUITARY NOVO NORDISK A/S (DK) 2000-10-03 US disclosed
EP-0869974-A1 COMPOUNDS WITH GROWTH HORMONE RELEASING PROPERTIES NOVO NORDISK A/S (DK) 1998-10-14 EP disclosed
WO-1997023508-A1 COMPOUNDS WITH GROWTH HORMONE RELEASING PROPERTIES NOVO NORDISK A/S (DK) 1997-07-03 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 (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-20030149043-A1 N-[(substituted five-membered di-or triaza diunsaturated ring)carbonyl] guanidine derivatives for the treatment of ischemia NHERF1, SLC28A1, TNNI3 PTGS2 167/4885MAPK1 1899/4885CA1 1518/4885
US-20030040483-A1 Compounds with growth hormone releasing properties GHRHR, GHSR, GRPR PTGS2 1989/4885MAPK1 1036/4885CA1 3051/4885

“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.