SCHEMBL1492040

SCHEMBL1492040

CCOC(=O)c1sc(C)c(C(N)=O)c1N

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.62
KMT2A Q03164 3/20 0.62
MEN1 O00255 2/20 0.62
FHIT P49789 1/20 0.56
KDM4E B2RXH2 7/20 0.54
GAA P10253 6/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
HPGD P15428 6/20 0.54
HSD17B10 Q99714 5/20 0.54
MAPK1 P28482 2/20 0.54
ALOX15 P16050 1/20 0.54
MAPT P10636 5/20 0.53
RAB9A P51151 2/20 0.53
NPC1 O15118 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.51
USP2 O75604 1/20 0.50
GLA P06280 2/20 0.49
TSHR P16473 1/20 0.49

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
SCHEMBL9031215 0.80 FHIT (0.60) ALDH1A1KMT2AMEN1FHITKDM4E
SCHEMBL226609 0.79 MAPT (0.75) ALDH1A1KMT2AMEN1FHITKDM4E
SCHEMBL27888882 0.77 ALDH1A1 (0.38) ALDH1A1KMT2AMEN1FHITGAA
SCHEMBL14948701 0.75 MAPT (0.69) ALDH1A1KMT2AMEN1FHITKDM4E
SCHEMBL3135234 0.74 L3MBTL1 (0.58) ALDH1A1KMT2AMEN1FHITKDM4E
SCHEMBL14586047 0.74 ALDH1A1 (0.56) ALDH1A1KMT2AMEN1FHITKDM4E
SCHEMBL14708470 0.72 FHIT (0.74) ALDH1A1KMT2AMEN1FHITKDM4E
SCHEMBL13343389 0.72 FHIT (1.00) ALDH1A1KMT2AMEN1FHITKDM4E
SCHEMBL9371719 0.71 FHIT (0.57) ALDH1A1KMT2AMEN1FHITKDM4E
SCHEMBL18357933 0.71 KDM4E (0.71) ALDH1A1KMT2AMEN1FHITKDM4E

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
EP-2470538-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF Array Biopharma, Inc. (US) 2012-07-04 EP disclosed
US-20120157439-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2012-06-21 US disclosed
WO-2011025940-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2011-03-03 WO 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-20120157439-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF ALDH1A1 1048/4885KMT2A 3293/4885MEN1 756/4885

“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.