SCHEMBL133072

SCHEMBL133072

[O-][S+]1CCc2ccccc21

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.36
ORAI1 Q96D31 1/20 0.33
ORAI2 Q96SN7 1/20 0.33
ORAI3 Q9BRQ5 1/20 0.33
HTR2C P28335 1/20 0.32
CES1 P23141 1/20 0.30

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
SCHEMBL255954 0.86 TSHR (0.44) TSHRORAI1ORAI2ORAI3HTR2C
Hydrochloric Acid SCHEMBL28694707 0.85 TSHR (0.42) TSHRORAI1ORAI2ORAI3
SCHEMBL1376881 0.85 TSHR (0.48) TSHRORAI1ORAI2ORAI3
SCHEMBL17058245 0.75
SCHEMBL7385496 0.75
SCHEMBL11751309 0.75 ORAI1 (0.41) TSHRORAI1ORAI2ORAI3HTR2C
SCHEMBL7351101 0.73 PNMT (0.45) HTR2C
SCHEMBL14275868 0.71 PLAU (0.50)
SCHEMBL3493955 0.71 MAOA (0.41) CES1
SCHEMBL14275871 0.70 PLAU (0.48)

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 931 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106675082-A Method for preparing disperse blue 354 江苏道博化工有限公司 2017-05-17 CN claimed
US-7935699-B2 Pyrazole glucokinase activators HOFFMANN-LA ROCHE INC. (US) 2011-05-03 US claimed
EP-2261216-A2 Pyrazoles as glucokinase activators F. Hoffmann-La Roche AG (CH) 2010-12-15 EP claimed
CN-101489544-A Method for treating hematological disorders HEMAQUEST PHARMACEUTICALS INC (US) 2009-07-22 CN claimed
US-20090137567-A1 Methods for Treating Blood Disorders HEMAQUEST PHARMACEUTICALS, INC. (US) 2009-05-28 US claimed
EP-2046755-A2 PYRAZOLES AS GLUCOKINASE ACTIVATORS F. Hoffmann-Roche AG (CH) 2009-04-15 EP claimed
EP-2023913-A2 METHODS FOR TREATING BLOOD DISORDERS Colorado State University Research Foundation (US) 2009-02-18 EP claimed
US-20080075692-A1 prophylaxis of blood disorder such as sickle cell anemia, beta -thalassemia, neutropenia or thrombocytopenia, comprising administering carboxylic acids, that stimulates production of fetal hemoglobin, hematopoiesis, erythropoiesis, myelopoiesis and neutrophil production COLORADO STATE UNIVERSITY RESEARCH FOUNDATION 2008-03-27 US claimed
WO-2008012227-A2 PYRAZOLES AS GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2008-01-31 WO claimed
US-20080021032-A1 Pyrazole glucokinase activators BERTHEL STEVEN JOSEPH 2008-01-24 US claimed
US-6362180-B1 ANTAGONIST TO CORTICOTROPIN RELEASING FACTOR BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-03-26 US claimed
EP-1091941-A1 NOVEL BENZIMIDAZOLES AS CORTICOTROPIN RELEASE FACTOR ANTAGONISTS Du Pont Pharmaceuticals Company (US) 2001-04-18 EP claimed
EP-1091961-A1 IMIDAZO-PYRIDINES, -PYRIDAZINES, AND -TRIAZINES AS CORTICOTROPIN RELEASING FACTOR ANTAGONISTS Du Pont Pharmaceuticals Company (US) 2001-04-18 EP claimed
WO-2000059908-A2 PYRAZOLOPYRIMIDINES AS CRF ANTAGONISTS DU PONT PHARMACEUTICALS COMPANY (US) 2000-10-12 WO claimed
WO-2000059907-A2 PYRAZOLOTRIAZINES AS CRF ANTAGONISTS DU PONT PHARMACEUTICALS COMPANY (US) 2000-10-12 WO claimed
US-6124463-A TREATMENT OF AFFECTIVE DISORDER, ANXIETY OR DEPRESSION DUPONT PHARMACEUTICALS (US) 2000-09-26 US claimed
EP-0994877-A1 IMIDAZOPYRIMIDINES AND IMIDAZOPYRIDINES FOR THE TREATMENT OF NEUROLOGICAL DISORDERS Du Pont Pharmaceuticals Company (US) 2000-04-26 EP claimed
WO-2000001697-A1 IMIDAZO-PYRIDINES, -PYRIDAZINES, AND -TRIAZINES AS CORTICOTROPIN RELEASING FACTOR ANTAGONISTS DU PONT PHARMACEUTICALS COMPANY (US) 2000-01-13 WO claimed
WO-2000001675-A1 NOVEL BENZIMIDAZOLES AS CORTICOTROPIN RELEASE FACTOR ANTAGONISTS DU PONT PHARMACEUTICALS COMPANY (US) 2000-01-13 WO claimed
WO-1999001454-A1 IMIDAZOPYRIMIDINES AND IMIDAZOPYRIDINES FOR THE TREATMENT OF NEUROLOGICAL DISORDERS DU PONT PHARMACEUTICALS COMPANY (US) 1999-01-14 WO claimed

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-20090137567-A1 Methods for Treating Blood Disorders HBB, HBG1, HBG2 TSHR 3467/4885ORAI1 4855/4885ORAI2 4321/4885
US-20080075692-A1 prophylaxis of blood disorder such as sickle cell anemia, beta -thalassemia, neutropenia or thrombocytopenia, comprising administering carboxylic acids, that stimulates production of fetal hemoglobin, hematopoiesis, erythropoiesis, myelopoiesis and neutrophil production HBG1, HBG2, HBB TSHR 1806/4885ORAI1 1792/4885ORAI2 2855/4885
US-20080021032-A1 Pyrazole glucokinase activators GCKR, GCK, GALK1 TSHR 2577/4885ORAI1 4531/4885ORAI2 4255/4885

“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.