SCHEMBL403639

SCHEMBL403639

C=CB(O)Oc1ccccc1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.43
TP53 P04637 2/20 0.43
TSHR P16473 2/20 0.43
CA1 P00915 1/20 0.43
MAPT P10636 5/20 0.41
LMNA P02545 3/20 0.41
GAA P10253 3/20 0.41
JAK2 O60674 2/20 0.41
HSD17B10 Q99714 5/20 0.35
HPGD P15428 4/20 0.35
ALOX15 P16050 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
CYP3A4 P08684 2/20 0.35
NPC1 O15118 1/20 0.35
CA12 O43570 1/20 0.35
GMNN O75496 1/20 0.35
EGFR P00533 1/20 0.35
FYN P06241 1/20 0.35

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
SCHEMBL3196704 0.87 ENPP2 (0.37) CA2TP53TSHRCA1HSD17B10
SCHEMBL862053 0.76 CA2 (0.52) CA2TP53TSHRCA1MAPT
SCHEMBL29790333 0.76 CA2 (0.52) CA2TP53TSHRCA1MAPT
SCHEMBL8469357 0.76 CA2 (0.52) CA2TP53TSHRCA1MAPT
SCHEMBL3464054 0.74 CA1 (0.50) CA2TP53TSHRCA1MAPT
SCHEMBL337282 0.74 CA2 (0.50) CA2TP53TSHRCA1MAPT
Ammonia Solution, Strong SCHEMBL9187024 0.74 CA2 (0.50) CA2TP53TSHRCA1MAPT
Catechol SCHEMBL9641287 0.74 CA2 (0.50) CA2TP53TSHRCA1MAPT
SCHEMBL1276184 0.73 CA2 (0.54) CA2TP53TSHRCA1MAPT
SCHEMBL31457104 0.73 CA2 (0.54) CA2TP53TSHRCA1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9556172-B2 Processes for the manufacture of propane-1-sulfonic acid (3-[5-(4-chloro-phenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluoro-phenyl)-amide HOFFMAN LA-ROCHE INC. (US) 2017-01-31 US disclosed
US-20160083378-A1 NOVEL PROCESSES FOR THE MANUFACTURE OF PROPANE-1-SULFONIC ACID (3-[5-(4-CHLORO-PHENYL)-1H-PYRROLO[2,3-b]PYRIDINE-3-CARBONYL]-2,4-DIFLUORO-PHENYL)-AMIDE HOFFMANN LA ROCHE (US) 2016-03-24 US disclosed
US-9150594-B2 Processes for the manufacture of propane-1-sulfonic acid {3-[5-(4-chloro-phenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluoro-phenyl}-amide HOFFMANN-LA ROCHE INC. (US) 2015-10-06 US disclosed
EP-2595958-B1 NOVEL PROCESSES FOR THE MANUFACTURE OF PROPANE-1-SULFONIC ACID {3-[5-(4-CHLORO-PHENYL)-1H-PYRROLO[2,3-B]PYRIDINE-3-CARBONYL]-2,4-DIFLUORO-PHENYL}-AMIDE HOFFMANN LA ROCHE (CH) 2015-04-29 EP disclosed
US-20140288308-A1 NOVEL PROCESSES FOR THE MANUFACTURE OF PROPANE-1-SULFONIC ACID -AMIDE HOFFMANN LA ROCHE (US) 2014-09-25 US disclosed
US-8779150-B2 Processes for the manufacture of propane-1-sulfonic acid {3-[5-(4-chloro-phenyl)-1 H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluoro-phenyl}-amide HOFFMANN-LA ROCHE INC. (US) 2014-07-15 US disclosed
EP-2595958-A2 NOVEL PROCESSES FOR THE MANUFACTURE OF PROPANE-1-SULFONIC ACID {3-[5-(4-CHLORO-PHENYL)-1H-PYRROLO[2,3-B]PYRIDINE-3-CARBONYL]-2,4-DIFLUORO-PHENYL}-AMIDE F.HOFFMANN-LA ROCHE AG (CH) 2013-05-29 EP disclosed
US-20120204940-A1 POLYVINYL ACETAL LAMINATE AND USE THEREOF KURARAY CO., LTD. (JP) 2012-08-16 US disclosed
EP-2463095-A1 POLYVINYL ACETAL LAMINATE AND USE THEREOF Kuraray Co., Ltd. (JP) 2012-06-13 EP disclosed
US-20120022258-A1 Novel Processes for the manufacture of Propane-1-sulfonic acid -amide F. HOFFMANN-LA ROCHE AG (CH) 2012-01-26 US disclosed
WO-2012010538-A2 NOVEL PROCESSES FOR THE MANUFACTURE OF PROPANE-1-SULFONIC ACID {3-[5-(4-CHLORO-PHENYL)-1H-PYRROLO[2,3-B]PYRIDINE-3-CARBONYL]-2,4-DIFLUORO-PHENYL}-AMIDE F. HOFFMANN-LA ROCHE AG (CH) 2012-01-26 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-20140288308-A1 NOVEL PROCESSES FOR THE MANUFACTURE OF PROPANE-1-SULFONIC ACID -AMIDE SULT1A1, FASN, COASY CA2 2006/4885TP53 4678/4885TSHR 3835/4885
US-20160083378-A1 NOVEL PROCESSES FOR THE MANUFACTURE OF PROPANE-1-SULFONIC ACID (3-[5-(4-CHLORO-PHENYL)-1H-PYRROLO[2,3-b]PYRIDINE-3-CARBONYL]-2,4-DIFLUORO-PHENYL)-AMIDE ALDH18A1, PFAS, PCCA CA2 1631/4885TP53 4500/4885TSHR 3806/4885
US-20120022258-A1 Novel Processes for the manufacture of Propane-1-sulfonic acid -amide SULT1A1, FASN, COASY CA2 2006/4885TP53 4678/4885TSHR 3835/4885

“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.