SCHEMBL3273166

SCHEMBL3273166

NNc1cccc(CC(=O)O)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SELP P16109 2/20 0.55
SELE P16581 2/20 0.55
HPSE Q9Y251 2/20 0.55
NR1H4 Q96RI1 4/20 0.52
AKR1B1 P15121 1/20 0.52
SELL P14151 1/20 0.51
CYP1A2 P05177 1/20 0.49
CYP2C19 P33261 1/20 0.49
ENPP2 Q13822 1/20 0.48
PPARG P37231 3/20 0.46
PPARD Q03181 3/20 0.46
PPARA Q07869 3/20 0.46
KDM4E B2RXH2 1/20 0.44
RGS12 O14924 1/20 0.44
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44

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
Hydrochloric Acid SCHEMBL8695156 0.98 SELP (0.54) SELPSELEHPSENR1H4AKR1B1
SCHEMBL3184520 0.85 CSNK2A1 (0.49) SELPSELEHPSENR1H4KDM4E
SCHEMBL13370136 0.83 SELP (0.56) SELPSELEHPSENR1H4AKR1B1
SCHEMBL11601488 0.82 SELP (0.60) SELPSELEHPSENR1H4AKR1B1
SCHEMBL3104224 0.81 NR1H4 (0.56) SELPSELEHPSENR1H4AKR1B1
SCHEMBL2468368 0.81 AKR1B1 (0.57) SELPSELEHPSENR1H4AKR1B1
SCHEMBL17869670 0.81 SLC7A5 (0.56) KDM4ELMNAGAAMAPTHPGD
SCHEMBL11359247 0.80 SELP (0.65) SELPSELEHPSENR1H4SELL
SCHEMBL4515437 0.80 HPSE (0.57) SELPSELEHPSENR1H4SELL
SCHEMBL70565 0.80 AKR1B1 (0.71) SELPSELEHPSEAKR1B1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2942349-A1 ENZYME MODULATORS AND TREATMENTS Deciphera Pharmaceuticals, LLC (US) 2015-11-11 EP disclosed
US-8207349-B2 Thiazolyl-dihydro-indazoles BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-26 US disclosed
US-8207349-B2 Thiazolyl-dihydro-indazoles BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-26 US disclosed
US-8207349-B2 Thiazolyl-dihydro-indazoles BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-26 US disclosed
CN-101035795-B Thiazolyl dihydroindazoles BOEHRINGER INGELHEIM INT 2012-03-21 CN disclosed
US-20100113414-A1 THIAZOLYL-DIHYDRO-INDAZOLES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-05-06 US disclosed
US-20100113414-A1 THIAZOLYL-DIHYDRO-INDAZOLES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-05-06 US disclosed
US-20100113414-A1 THIAZOLYL-DIHYDRO-INDAZOLES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-05-06 US disclosed
US-7691888-B2 Thiazolyl-dihydro-indazole BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-06 US disclosed
US-7691888-B2 Thiazolyl-dihydro-indazole BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-06 US disclosed
EP-1836173-A2 ANTI-INFLAMMATORY MEDICAMENTS Deciphera Pharmaceuticals, LLC (US) 2007-09-26 EP disclosed
EP-1835934-A2 ENZYME MODULATORS AND TREATMENTS Deciphera Pharmaceuticals, LLC (US) 2007-09-26 EP disclosed
CN-101035795-A Thiazolyl dihydroindazoles BOEHRINGER INGELHEIM INT (DE) 2007-09-12 CN disclosed
US-20070191336-A1 p38 kinase inhibitors DECIPHERA PHARMACEUTICALS, LLC 2007-08-16 US disclosed
EP-1799690-A1 THIAZOLYL-DIHYDRO INDAZOLES Boehringer Ingelheim International GmbH (DE) 2007-06-27 EP disclosed
US-20070078121-A1 Enzyme modulators and treatments DECIPHERA PHARMACEUTICALS, LLC 2007-04-05 US disclosed
WO-2006081034-A2 ANTI-INFLAMMATORY MEDICAMENTS DECIPHERA PHARMACEUTICALS, LLC (US) 2006-08-03 WO disclosed
WO-2006071940-A2 ENZYME MODULATORS AND TREATMENTS DECIPHERA PHARMACEUTICALS, LLC (US) 2006-07-06 WO disclosed
US-20060100254-A1 N-[1-(3-dimethylamino-4-formyl-phenyl)-3-pyridin-3-yl-4,5-dihydro-1H-pyrazolo[4,3-g]benzothiazol-7-yl]-acetamide; phosphatidylinositol-3-kinases (PI3-kinases) inhibitor; cell growth, differentiation and intracellular transport processes; antiproliferative, antiinflammatory agent; autoimmune diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-05-11 US disclosed
WO-2006040281-A1 THIAZOLYL-DIHYDRO INDAZOLES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-04-20 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 (4 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-20060100254-A1 N-[1-(3-dimethylamino-4-formyl-phenyl)-3-pyridin-3-yl-4,5-dihydro-1H-pyrazolo[4,3-g]benzothiazol-7-yl]-acetamide; phosphatidylinositol-3-kinases (PI3-kinases) inhibitor; cell growth, differentiation and intracellular transport processes; antiproliferative, antiinflammatory agent; autoimmune diseases CDK1, MAPK1, NFATC1 SELP 2603/4885SELE 4386/4885HPSE 4625/4885
US-20100113414-A1 THIAZOLYL-DIHYDRO-INDAZOLES MKI67, CYP11B1, IGF1R SELP 3798/4885SELE 3810/4885HPSE 4307/4885
US-20070191336-A1 p38 kinase inhibitors MAPK1, MAP3K8, MAP3K1 SELP 1051/4885SELE 1305/4885HPSE 3431/4885
US-20070078121-A1 Enzyme modulators and treatments ABL1, ABL2, LCK SELP 603/4885SELE 621/4885HPSE 1287/4885

“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.