SCHEMBL1969099

SCHEMBL1969099

CC(C)(C)OC(=O)NN(C(=O)C=Cc1ccc(C(CCCCl)C(=O)O)cc1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 8/20 0.40
PPARA Q07869 2/20 0.40
PPARG P37231 1/20 0.40
NR1H4 Q96RI1 2/20 0.37
LTB4R Q15722 1/20 0.36
LTB4R2 Q9NPC1 1/20 0.36
AKT1 P31749 2/20 0.35
CNR2 P34972 1/20 0.34
HDAC3 O15379 2/20 0.34
HDAC4 P56524 2/20 0.34
HDAC1 Q13547 2/20 0.34
HDAC7 Q8WUI4 2/20 0.34
HDAC2 Q92769 2/20 0.34
HDAC10 Q969S8 2/20 0.34
HDAC11 Q96DB2 2/20 0.34
HDAC8 Q9BY41 2/20 0.34
HDAC6 Q9UBN7 2/20 0.34
HDAC9 Q9UKV0 2/20 0.34
HDAC5 Q9UQL6 2/20 0.34

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
SCHEMBL1969096 1.00 TRPM8 (0.40) TRPM8PPARAPPARGNR1H4LTB4R
SCHEMBL1968042 0.93 TRPM8 (0.41) TRPM8PPARAPPARGNR1H4LTB4R
SCHEMBL1965070 0.84 TRPM8 (0.38) TRPM8PPARAPPARGNR1H4LTB4R
SCHEMBL3087699 0.83 TRPM8 (0.43) TRPM8PPARAPPARGNR1H4LTB4R
SCHEMBL3226412 0.81 BCL9 (0.39) TRPM8PPARAPPARGNR1H4
SCHEMBL9976632 0.80 EGFR (0.43) TRPM8PPARAPPARGHDAC3HDAC1
SCHEMBL3229865 0.79 PPARG (0.37) TRPM8PPARAPPARGNR1H4HDAC3
SCHEMBL1119874 0.79 TRPM8 (0.44) TRPM8PPARAPPARGNR1H4LTB4R
SCHEMBL1966138 0.76 TRPM8 (0.36) TRPM8PPARAPPARGNR1H4LTB4R
SCHEMBL1119725 0.76 TRPM8 (0.43) TRPM8PPARAPPARGNR1H4LTB4R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8202866-B2 Ortho-aminoanilides for the treatment of cancer HOFFMANN-LA ROCHE INC. (US) 2012-06-19 US disclosed
EP-2334658-A2 ORTHO-AMINOANILIDES FOR THE TREATMENT OF CANCER F. Hoffmann-La Roche AG (CH) 2011-06-22 EP disclosed
WO-2010031708-A2 NOVEL ORTHO-AMINOANILIDES FOR THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2010-03-25 WO disclosed
US-20100069328-A1 NOVEL ORTHO-AMINOANILIDES FOR THE TREATMENT OF CANCER HOFFMANN-LA ROCHE, INC. 2010-03-18 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-20100069328-A1 NOVEL ORTHO-AMINOANILIDES FOR THE TREATMENT OF CANCER IL4I1, MKI67, ABL1 TRPM8 4447/4885PPARA 1672/4885PPARG 1381/4885

“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.