SCHEMBL1989340

SCHEMBL1989340

C[C](C)c1nc(C(F)(F)F)cs1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
LMNA P02545 1/20 0.35
FFAR2 O15552 1/20 0.34
CTSK P43235 1/20 0.33
IRAK4 Q9NWZ3 3/20 0.32
CBLB Q13191 2/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
IDH1 O75874 1/20 0.31
HSP90AA1 P07900 1/20 0.31
HSP90AB1 P08238 1/20 0.31

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
SCHEMBL9928614 0.84 ALDH1A1 (0.38) MEN1KMT2ALMNAFFAR2CTSK
SCHEMBL312511 0.78 FABP4 (0.36) MEN1KMT2AFFAR2CTSKIRAK4
SCHEMBL578067 0.76 FFAR2 (0.38) MEN1KMT2AFFAR2CTSKIRAK4
SCHEMBL578153 0.76 C1S (0.33) MEN1KMT2ALMNAFFAR2CTSK
SCHEMBL577680 0.76 CYP3A4 (0.39) MEN1KMT2AFFAR2CTSKIRAK4
SCHEMBL9927079 0.76 CTSK (0.44) MEN1KMT2ALMNAFFAR2CTSK
Acetic Acid SCHEMBL15573175 0.76 MEN1 (0.35) MEN1KMT2AFFAR2CTSKIRAK4
Hydrochloric Acid SCHEMBL578561 0.75 C1S (0.33) MEN1KMT2ALMNAIRAK4
SCHEMBL15102630 0.74 MEN1 (0.31) MEN1KMT2ALMNAFFAR2CTSK
SCHEMBL23528190 0.72 POLB (0.36) MEN1KMT2ALMNACTSKKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140018377-A1 Aminopropenoates as Fungicides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-01-16 US disclosed
US-8476197-B2 Aminopropenoates as fungicides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-07-02 US disclosed
US-20110152322-A1 Aminopropenoates as Fungicides BAYER CROPSCIENCE AG (DE) 2011-06-23 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-20110152322-A1 Aminopropenoates as Fungicides AASDHPPT, DAO, AAAS MEN1 1882/4885KMT2A 979/4885LMNA 1991/4885
US-20140018377-A1 Aminopropenoates as Fungicides ACMSD, AASDHPPT, AAAS MEN1 2379/4885KMT2A 1020/4885LMNA 2687/4885

“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.