SCHEMBL18784185

SCHEMBL18784185

O=C(Br)c1nc(F)ccc1F

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSA P10619 1/20 0.38
CES2 O00748 3/20 0.31
CES1 P23141 3/20 0.31
KCNQ3 O43525 1/20 0.30
KCNQ2 O43526 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
SCHEMBL15441401 0.80 CTSA (0.38) CTSACES2CES1KCNQ3KCNQ2
SCHEMBL3792291 0.80 ALDH1A1 (0.41) CTSA
SCHEMBL18498680 0.78 CTSA (0.40) CTSACES2CES1
SCHEMBL18817829 0.78 CTSA (0.38) CTSACES2CES1KCNQ3KCNQ2
SCHEMBL18784144 0.78 ALDH1A1 (0.39) CTSACES2CES1KCNQ3KCNQ2
SCHEMBL23631780 0.78 IDO1 (0.41) CTSA
SCHEMBL31141502 0.78 PTPN1 (0.42) CTSA
SCHEMBL18498755 0.78 PTPN1 (0.42) CTSA
SCHEMBL15093907 0.74 NPSR1 (0.50) CTSA
SCHEMBL23067217 0.74 CTSA (0.47) CTSA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3162795-B1 METHOD FOR MANUFACTURING 3-(ALKYL SULFONYL)PYRIDINE-2-CARBOXYLIC ACID SUMITOMO CHEMICAL CO (JP) 2019-07-31 EP disclosed
CN-106660958-B The manufacturing method of 3- (alkyl sulphonyl) pyridine-2-carboxylic acids 住友化学株式会社 2019-04-12 CN disclosed
US-9815786-B2 Method for manufacturing 3-(alkylsulfonyl)pyridine-2-carboxylic acid SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-11-14 US disclosed
US-20170129859-A1 METHOD FOR MANUFACTURING 3-(ALKYLSULFONYL)PYRIDINE-2-CARBOXYLIC ACID SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-05-11 US disclosed
EP-3162795-A1 METHOD FOR MANUFACTURING 3-(ALKYL SULFONYL)PYRIDINE-2-CARBOXYLIC ACID Sumitomo Chemical Company, Limited (JP) 2017-05-03 EP 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 (1 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-20170129859-A1 METHOD FOR MANUFACTURING 3-(ALKYLSULFONYL)PYRIDINE-2-CARBOXYLIC ACID STS, SRM, CERS2 CTSA 3684/4885CES2 836/4885CES1 2082/4885

“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.