SCHEMBL186400

SCHEMBL186400

CSc1ccc(N)c(C(F)(F)F)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 10/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
AR P10275 5/20 0.38
FFAR1 O14842 3/20 0.37
GLA P06280 1/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
TSHR P16473 1/20 0.36
PDE7A Q13946 1/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA4 P22748 1/20 0.35
CA6 P23280 1/20 0.35
CA5A P35218 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
CA5B Q9Y2D0 1/20 0.35
KDM4E B2RXH2 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
SCHEMBL25250142 0.84 KIF11 (0.38) SMN1; SMN2ARGLAPOLBGAA
SCHEMBL1809687 0.83 PDE7A (0.41) FFAR4SMN1; SMN2ARFFAR1GLA
SCHEMBL11252847 0.81 AR (0.58) FFAR4SMN1; SMN2ARFFAR1GLA
SCHEMBL6094955 0.80 KDM4E (0.52) FFAR4SMN1; SMN2ARFFAR1GLA
SCHEMBL11255345 0.79 AR (0.59) FFAR4SMN1; SMN2ARFFAR1GLA
SCHEMBL11252589 0.79 AR (0.45) FFAR4SMN1; SMN2AR
SCHEMBL3578278 0.79 AR (0.40) AR
SCHEMBL14925670 0.78 AR (0.41) ARGAATSHRKDM4EALDH1A1
SCHEMBL7187814 0.77 TSHR (0.52) FFAR4ARFFAR1GLAPOLB
SCHEMBL31457316 0.77 TSHR (0.52) FFAR4ARFFAR1GLAPOLB

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
CN-116924953-A Meta-diamide compound containing methylthio derivative, and preparation method and application thereof 上海第二工业大学 2023-10-24 CN disclosed
US-20130131075-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-23 US disclosed
EP-2401256-B1 Compounds as bradykinin B1 antagonists BOEHRINGER INGELHEIM INT (DE) 2013-04-17 EP disclosed
WO-2012001107-A1 PIPERIDINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF METABOLIC DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-05 WO disclosed
EP-2401256-A1 COMPOUNDS AS BRADYKININ B1 ANTAGONISTS Boehringer Ingelheim International GmbH (DE) 2012-01-04 EP disclosed
US-20100240669-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-23 US disclosed
WO-2010097372-A1 COMPOUNDS AS BRADYKININ B1 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-02 WO disclosed
US-5304554-A Intercalators of DNA, inhibit replication of retroviruses EMORY UNIVERSITY (US) 1994-04-19 US disclosed
US-4459304-A MITICIDES, NEMATOCIDES, FUNGICIDES, BACTERICIDES, INSECTICIDES BAYER AKTIENGESELLSCHAFT (DE) 1984-07-10 US disclosed
EP-0074124-A1 Use of 2-trifluoromethyl-4-methylthio-chloro-methanesulfonanilide as a plant growth regulator BAYER AG (DE) 1983-03-16 EP disclosed
EP-0074124-A1 Use of 2-trifluoromethyl-4-methylthio-chloro-methanesulfonanilide as a plant growth regulator BAYER AG (DE) 1983-03-16 EP disclosed
US-4341901-A HERBICIDES; PLANT GROWTH REGULATORS MINNESOTA MINING AND MANUFACTURING CO. (US) 1982-07-27 US disclosed
US-4318919-A Combating bacteria with tetrachlorophthalamic acids BAYER AKTIENGESELLSCHAFT (DE) 1982-03-09 US disclosed
EP-0000156-B1 2-ARYLAMINO-3,5-DINITRO-BENZOTRIFLUORIDES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS PESTICIDES. BAYER AG (DE) 1980-11-12 EP disclosed
EP-0010250-A2 Use of Sulfonanilides in inhibition of plant growth BAYER AG (DE) 1980-04-30 EP disclosed
EP-0000156-A1 2-Arylamino-3,5-dinitro-benzotrifluorides, process for their preparation and their use as pesticides. BAYER AG (DE) 1979-01-10 EP disclosed
US-4116676-A 4-Methylthio-2-trifluoromethylmethane-sulfonanilide and derivatives thereof MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1978-09-26 US disclosed
US-3996277-A HERBICIDES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1976-12-07 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 (2 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-20130131075-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 FFAR4 1544/4885SMN1; SMN2 4025/4885AR 1452/4885
US-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 FFAR4 1544/4885SMN1; SMN2 4025/4885AR 1452/4885

“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.