SCHEMBL2925916

SCHEMBL2925916

Cc1c(Cl)cc(C(=O)O)c(F)c1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 5/20 0.43
TDP1 Q9NUW8 2/20 0.42
MYC P01106 1/20 0.42
NR4A1 P22736 1/20 0.42
CTSB P07858 1/20 0.42
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 1/20 0.40
ALDH1A1 P00352 3/20 0.39
TSHR P16473 2/20 0.39
TP53 P04637 1/20 0.39
CASP1 P29466 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
AKR1C2 P52895 2/20 0.38
AKR1C1 Q04828 2/20 0.38
AKR1C3 P42330 2/20 0.38
AKR1C4 P17516 1/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
KDM4E B2RXH2 2/20 0.38
MAPT P10636 2/20 0.38

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
SCHEMBL10630705 0.86 NOTUM (0.42) NOTUMTDP1MYCNR4A1CTSB
SCHEMBL23513273 0.86 NOTUM (0.42) NOTUMTDP1MYCNR4A1CTSB
SCHEMBL17982184 0.84 NOTUM (0.43) NOTUMTDP1MYCNR4A1CTSB
SCHEMBL8683261 0.81 KEAP1 (0.44) NOTUMTDP1MYCNR4A1CTSB
SCHEMBL29826010 0.79 NOTUM (0.40) NOTUMTDP1MYCNR4A1CTSB
SCHEMBL21542896 0.79 NOTUM (0.40) NOTUMTDP1MYCNR4A1CTSB
SCHEMBL23496840 0.79 NOTUM (0.40) NOTUMTDP1MYCNR4A1CTSB
SCHEMBL3599082 0.79 KEAP1 (0.42) NOTUMTDP1MYCKEAP1NFE2L2
SCHEMBL8679913 0.79 KEAP1 (0.42) NOTUMTDP1MYCNR4A1CTSB
SCHEMBL7070814 0.78 AKR1C2 (0.53) KEAP1NFE2L2ALDH1A1TSHRTP53

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-2231619-B1 INHIBITORS OF STEAROYL-COA DESATURASE HOFFMANN LA ROCHE (CH) 2014-11-26 EP disclosed
EP-2231619-A1 INHIBITORS OF STEAROYL-COA DESATURASE F. Hoffmann-La Roche AG (CH) 2010-09-29 EP disclosed
US-7652013-B2 Inhibitors of stearoyl-CoA desaturase HOFFMAN-LA ROCHE INC. (US) 2010-01-26 US disclosed
WO-2009074487-A1 INHIBITORS OF STEAROYL-COA DESATURASE F. HOFFMANN-LA ROCHE AG (CH) 2009-06-18 WO disclosed
US-20090149466-A1 INHIBITORS OF STEAROYL-COA DESATURASE GILLESPIE PAUL 2009-06-11 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 (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-20090149466-A1 INHIBITORS OF STEAROYL-COA DESATURASE SCD, SCD5, FADS2 NOTUM 58/4885TDP1 3814/4885MYC 4278/4885

“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.