SCHEMBL2055459

SCHEMBL2055459

N#Cc1cc(Cl)cc(S(=O)(=O)Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ACLY P53396 5/20 0.44
▸ TRPV4 Q9HBA0 2/20 0.38
▸ VCAM1 P19320 1/20 0.36
▸ CNR1 P21554 1/20 0.35
▸ FLT1 P17948 1/20 0.34
▸ FLT4 P35916 1/20 0.34
▸ KDR P35968 1/20 0.34
▸ GRM5 P41594 1/20 0.33
▸ S100A9 P06702 1/20 0.33

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
SCHEMBL11050610 0.87 TRPV4 (0.42) ACLYTRPV4VCAM1
SCHEMBL30540037 0.78 TRPV4 (0.40) TRPV4
SCHEMBL25159868 0.78 TRPV4 (0.37) TRPV4VCAM1
SCHEMBL16235968 0.78 TRPV4 (0.40) TRPV4
SCHEMBL18331408 0.78 ACLY (0.40) ACLYVCAM1CNR1FLT1FLT4
SCHEMBL184464 0.78 TSHR (0.47) ACLYFLT1FLT4KDRS100A9
SCHEMBL20241140 0.75 TSHR (0.44) ACLYFLT1FLT4KDRS100A9
SCHEMBL633226 0.75 TSHR (0.50) VCAM1GRM5
SCHEMBL5852713 0.75 VCAM1 (0.43) VCAM1GRM5
SCHEMBL31646966 0.74 ACLY (0.51) ACLYCNR1GRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200148634-A1 ACLY INHIBITORS AND USES THEREOF Nimbus Artemis, Inc. 2020-05-14 — — US disclosed
EP-3312172-B1 AMINOPYRAZOLE DERIVATIVES USEFUL AS SRC KINASE INHIBITORS CHUGAI PHARMACEUTICAL CO LTD (JP) 2020-05-06 — — EP disclosed
US-10479780-B2 Aminopyrazole derivatives CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2019-11-19 — — US disclosed
EP-3312172-A1 AMINOPYRAZOLE DERIVATIVES Chugai Seiyaku Kabushiki Kaisha (JP) 2018-04-25 — — EP disclosed
US-8163911-B2 Arylsulfonylaminomethylphosphonic acid derivatives, the preparation thereof and the use thereof as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-04-24 — — US disclosed
US-8163911-B2 Arylsulfonylaminomethylphosphonic acid derivatives, the preparation thereof and the use thereof as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-04-24 — — US disclosed
US-8163911-B2 Arylsulfonylaminomethylphosphonic acid derivatives, the preparation thereof and the use thereof as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-04-24 — — US disclosed
US-20100261677-A1 ARYLSULFONYLAMINOMETHYLPHOSPHONIC ACID DERIVATIVES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-14 — — US disclosed
US-20100261677-A1 ARYLSULFONYLAMINOMETHYLPHOSPHONIC ACID DERIVATIVES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-14 — — US disclosed
US-20100261677-A1 ARYLSULFONYLAMINOMETHYLPHOSPHONIC ACID DERIVATIVES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-14 — — US 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-10479780-B2 Aminopyrazole derivatives SRC, GRK2, GRK3 ACLY 4515/4885TRPV4 2611/4885VCAM1 2621/4885
US-20100261677-A1 ARYLSULFONYLAMINOMETHYLPHOSPHONIC ACID DERIVATIVES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS ARSA, SULT2A1, PMM2 ACLY 633/4885TRPV4 4475/4885VCAM1 3288/4885
US-20200148634-A1 ACLY INHIBITORS AND USES THEREOF ACLY, ATP5ME, ATP5MG ACLY 1/4885TRPV4 4712/4885VCAM1 4509/4885

“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.

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