SCHEMBL3710331

SCHEMBL3710331

CS(=O)(=O)c1ccc(CN)c(C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.46
NR1H2 P55055 3/20 0.43
NR1H3 Q13133 3/20 0.43
PTGDR2 Q9Y5Y4 2/20 0.42
HRH4 Q9H3N8 1/20 0.41
PTGS2 P35354 2/20 0.40
LRRK2 Q5S007 1/20 0.39
G6PD P11413 1/20 0.38
IDE P14735 1/20 0.38
POLB P06746 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
LOXL2 Q9Y4K0 3/20 0.37
CCR2 P41597 1/20 0.36
LOX P28300 2/20 0.36
MAP4K4 O95819 1/20 0.36
PIK3CA P42336 1/20 0.36
KCNH2 Q12809 1/20 0.36
MINK1 Q8N4C8 1/20 0.36
PI4KB Q9UBF8 1/20 0.36

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
SCHEMBL12875596 0.86 KIF11 (0.49) KIF11NR1H2NR1H3PTGDR2HRH4
SCHEMBL28856967 0.85 KIF11 (0.47) KIF11PTGS2
SCHEMBL1190580 0.85 KIF11 (0.47) KIF11NR1H2NR1H3PTGDR2HRH4
SCHEMBL31716134 0.83 KIF11 (0.46) KIF11NR1H2NR1H3PTGDR2HRH4
Hydrochloric Acid SCHEMBL29843373 0.83 KIF11 (0.46) KIF11PTGS2
SCHEMBL1191536 0.83 KIF11 (0.46) KIF11NR1H2NR1H3PTGDR2HRH4
SCHEMBL13995352 0.82 NR1H2 (0.48) KIF11NR1H2NR1H3PTGDR2HRH4
SCHEMBL13995384 0.81 KIF11 (0.44) KIF11NR1H2NR1H3PTGDR2HRH4
SCHEMBL13995366 0.80 KIF11 (0.43) KIF11NR1H2NR1H3PTGDR2HRH4
SCHEMBL3714911 0.78 HTR2A (0.37) KIF11CCR2KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10723735-B2 Process for preparing 1-(4-methanesulfonyl-2-trifluoromethyl-benzyl)-2-methyl-1H-pyrrolo [2,3-B]pyridin-3-yl-acetic acid NOVARTIS PHARMA AG (CH) 2020-07-28 US claimed
US-20200031824-A1 PROCESS FOR PREPARING 1-(4-METHANESULFONYL-2-TRIFLUOROMETHYL-BENZYL)-2-METHYL-1H-PYRROLO [2,3-B]PYRIDIN-3-YL-ACETIC ACID NOVARTIS PHARMA AG (CH) 2020-01-30 US claimed
WO-2010096722-A1 3-OXO-2, 3-DIHYDRO- [1,2, 4] TRIAZOLO [4, 3-A]PYRIDINES AS SOLUBLE EPOXIDE HYDROLASE (SEH) INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-26 WO claimed
CN-110467612-B Simple preparation method of prostaglandin D2 receptor inhibitor compound 新发药业有限公司 2020-09-25 CN disclosed
US-10723735-B2 Process for preparing 1-(4-methanesulfonyl-2-trifluoromethyl-benzyl)-2-methyl-1H-pyrrolo [2,3-B]pyridin-3-yl-acetic acid NOVARTIS PHARMA AG (CH) 2020-07-28 US disclosed
US-10723735-B2 Process for preparing 1-(4-methanesulfonyl-2-trifluoromethyl-benzyl)-2-methyl-1H-pyrrolo [2,3-B]pyridin-3-yl-acetic acid NOVARTIS PHARMA AG (CH) 2020-07-28 US disclosed
EP-3356329-B1 PROCESS FOR PREPARING 1-(4-METHANESULFONYL-2-TRIFLUOROMETHYL-BENZYL)-2-METHYL-1H-PYRROLO [2,3-B]PYRIDIN-3-YL-ACETIC ACID NOVARTIS AG (CH) 2020-04-15 EP disclosed
EP-3356329-B1 PROCESS FOR PREPARING 1-(4-METHANESULFONYL-2-TRIFLUOROMETHYL-BENZYL)-2-METHYL-1H-PYRROLO [2,3-B]PYRIDIN-3-YL-ACETIC ACID NOVARTIS AG (CH) 2020-04-15 EP disclosed
EP-3606924-A1 PROCESS FOR PREPARING 1-(4-METHANESULFONYL-2-TRIFLUOROMETHYL-BENZYL)-2-METHYL-1H-PYRROLO [2,3-B]PYRIDIN-3-YL-ACETIC ACID Novartis AG (CH) 2020-02-12 EP disclosed
US-20200031824-A1 PROCESS FOR PREPARING 1-(4-METHANESULFONYL-2-TRIFLUOROMETHYL-BENZYL)-2-METHYL-1H-PYRROLO [2,3-B]PYRIDIN-3-YL-ACETIC ACID NOVARTIS PHARMA AG (CH) 2020-01-30 US disclosed
US-20200031824-A1 PROCESS FOR PREPARING 1-(4-METHANESULFONYL-2-TRIFLUOROMETHYL-BENZYL)-2-METHYL-1H-PYRROLO [2,3-B]PYRIDIN-3-YL-ACETIC ACID NOVARTIS PHARMA AG (CH) 2020-01-30 US disclosed
US-10508110-B2 Process for preparing 1-(4-methanesulfonyl-2-trifluoromethyl-benzyl)-2-methyl-1H-pyrrolo [2,3-B]pyridin-3-yl-acetic acid NOVARTIS AG (CH) 2019-12-17 US disclosed
US-10508110-B2 Process for preparing 1-(4-methanesulfonyl-2-trifluoromethyl-benzyl)-2-methyl-1H-pyrrolo [2,3-B]pyridin-3-yl-acetic acid NOVARTIS AG (CH) 2019-12-17 US disclosed
CN-110467612-A A kind of simple and convenient process for preparing of prostaglandin D 2 receptor inhibitor compound XINFA PHARMACEUTICAL CO LTD 2019-11-19 CN disclosed
WO-2018178926-A1 PROCESS FOR PREPARING 1-(4-METHANESULFONYL-2-TRIFLUOROMETHYL-BENZYL)-2-METHYL-1H-PYRROLO [2,3-B]PYRIDIN-3-YL-ACETIC ACID NOVARTIS AG (CH) 2018-10-04 WO disclosed
US-20180273530-A1 PROCESS FOR PREPARING 1-(4-METHANESULFONYL-2-TRIFLUOROMETHYL-BENZYL)-2-METHYL-1H-PYRROLO [2,3-B]PYRIDIN-3-YL-ACETIC ACID NOVARTIS PHARMA AG (CH) 2018-09-27 US disclosed
EP-3356329-A1 PROCESS FOR PREPARING 1-(4-METHANESULFONYL-2-TRIFLUOROMETHYL-BENZYL)-2-METHYL-1H-PYRROLO [2,3-B]PYRIDIN-3-YL-ACETIC ACID Novartis AG (CH) 2018-08-08 EP disclosed
WO-2010096722-A1 3-OXO-2, 3-DIHYDRO- [1,2, 4] TRIAZOLO [4, 3-A]PYRIDINES AS SOLUBLE EPOXIDE HYDROLASE (SEH) INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-26 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 (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-20200031824-A1 PROCESS FOR PREPARING 1-(4-METHANESULFONYL-2-TRIFLUOROMETHYL-BENZYL)-2-METHYL-1H-PYRROLO [2,3-B]PYRIDIN-3-YL-ACETIC ACID MMAB, PAH, CPS1 KIF11 353/4885NR1H2 4840/4885NR1H3 4832/4885
US-20180273530-A1 PROCESS FOR PREPARING 1-(4-METHANESULFONYL-2-TRIFLUOROMETHYL-BENZYL)-2-METHYL-1H-PYRROLO [2,3-B]PYRIDIN-3-YL-ACETIC ACID MMAB, PAH, CPS1 KIF11 353/4885NR1H2 4840/4885NR1H3 4832/4885
US-10723735-B2 Process for preparing 1-(4-methanesulfonyl-2-trifluoromethyl-benzyl)-2-methyl-1H-pyrrolo [2,3-B]pyridin-3-yl-acetic acid MMAB, PAH, CPS1 KIF11 353/4885NR1H2 4840/4885NR1H3 4832/4885
US-10508110-B2 Process for preparing 1-(4-methanesulfonyl-2-trifluoromethyl-benzyl)-2-methyl-1H-pyrrolo [2,3-B]pyridin-3-yl-acetic acid MMAB, PAH, CPS1 KIF11 353/4885NR1H2 4840/4885NR1H3 4832/4885

“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.