SCHEMBL168415

SCHEMBL168415

Cc1cc(C(F)(F)F)ccc1S(C)(=O)=O

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.55
MCL1 Q07820 4/20 0.49
ALDH1A1 P00352 3/20 0.46
PDE2A O00408 2/20 0.45
ADRA1A P35348 1/20 0.44
THRB P10828 1/20 0.43
ALOX5AP P20292 1/20 0.42
FEN1 P39748 1/20 0.42
ABCB11 O95342 1/20 0.41
KIF11 P52732 2/20 0.41
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MCOLN3 Q8TDD5 1/20 0.40
IDH1 O75874 1/20 0.40
PTGS2 P35354 1/20 0.40
DDR1 Q08345 1/20 0.40

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
SCHEMBL16021159 0.86 MCL1 (0.47) L3MBTL1MCL1ALDH1A1ADRA1AALOX5AP
SCHEMBL28230701 0.86 ALOX5AP (0.46) L3MBTL1MCL1ALDH1A1ADRA1AALOX5AP
SCHEMBL3941612 0.86 MCL1 (0.50) L3MBTL1MCL1ALDH1A1PDE2ATHRB
SCHEMBL14299188 0.83 L3MBTL1 (0.59) L3MBTL1ALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL25362679 0.82 MCL1 (0.51) L3MBTL1MCL1ALDH1A1PDE2ATHRB
SCHEMBL14684308 0.82 ADRA1A (0.43) L3MBTL1MCL1ALDH1A1ADRA1AALOX5AP
SCHEMBL9303098 0.82 ABCB11 (0.52) MCL1ADRA1AALOX5APFEN1ABCB11
SCHEMBL6191403 0.82 PDIA6 (0.49) L3MBTL1MCL1ALOX5APFEN1KIF11
SCHEMBL29458370 0.82 PDIA6 (0.49) L3MBTL1MCL1ALOX5APFEN1KIF11
SCHEMBL19019674 0.81 ALDH1A1 (0.51) L3MBTL1ALDH1A1ADRA1AALOX5APFEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130158076-A1 Methylene Urea Derivatives MERCK PATENT GMBH (DE) 2013-06-20 US disclosed
US-20130158076-A1 Methylene Urea Derivatives MERCK PATENT GMBH (DE) 2013-06-20 US disclosed
US-8410143-B2 Methylene urea derivatives MERCK PATENT GMBH (DE) 2013-04-02 US disclosed
US-8410143-B2 Methylene urea derivatives MERCK PATENT GMBH (DE) 2013-04-02 US disclosed
EP-2426122-A1 Methylene urea derivative as RAF kinasse inhibitors Merck Patent GmbH (DE) 2012-03-07 EP disclosed
US-20090298885-A1 METHYLENE UREA DERIVATIVES MERCK PATENT GMBH (DE) 2009-12-03 US disclosed
US-20090298885-A1 METHYLENE UREA DERIVATIVES MERCK PATENT GMBH (DE) 2009-12-03 US disclosed
US-20090253688-A1 Semicarbazide derivatives as kinase inhibitors MERCK PATENT GMBH (DE) 2009-10-08 US disclosed
US-20090253688-A1 Semicarbazide derivatives as kinase inhibitors MERCK PATENT GMBH (DE) 2009-10-08 US disclosed
US-7589112-B2 Methylene urea derivatives MERCK PATENT GMBH (DE) 2009-09-15 US disclosed
US-20070191423-A1 Isoquinoline derivatives MERCK PATENT GMBH (DE) 2007-08-16 US disclosed
US-20070191423-A1 Isoquinoline derivatives MERCK PATENT GMBH (DE) 2007-08-16 US disclosed
US-20070191444-A1 Benzimidazolyl derivatives MERCK PATENT GMBH (DE) 2007-08-16 US disclosed
US-20070191444-A1 Benzimidazolyl derivatives MERCK PATENT GMBH (DE) 2007-08-16 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 (5 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-20070191444-A1 Benzimidazolyl derivatives JAK1, MARK1, RAF1 L3MBTL1 3477/4885MCL1 881/4885ALDH1A1 1382/4885
US-20090298885-A1 METHYLENE UREA DERIVATIVES BRAF, RAF1, CMPK1 L3MBTL1 3485/4885MCL1 394/4885ALDH1A1 748/4885
US-20070191423-A1 Isoquinoline derivatives ABL1, MAP3K1, MAP3K2 L3MBTL1 4784/4885MCL1 357/4885ALDH1A1 2329/4885
US-20130158076-A1 Methylene Urea Derivatives BRAF, RAF1, CMPK1 L3MBTL1 3485/4885MCL1 394/4885ALDH1A1 748/4885
US-20090253688-A1 Semicarbazide derivatives as kinase inhibitors MAP3K1, MAP3K6, MAP3K2 L3MBTL1 4810/4885MCL1 851/4885ALDH1A1 1023/4885

“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.