SCHEMBL16990671

SCHEMBL16990671

CC(=O)NCc1ccc(C(F)(F)F)cc1NC(=O)NCc1ccc(Oc2ccnc(C(=O)O)c2)c(C)c1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DDR2 Q16832 4/20 0.52
RAF1 P04049 4/20 0.45
SRC P12931 4/20 0.41
MAPK14 Q16539 4/20 0.41
SYK P43405 3/20 0.41
TRPV1 Q8NER1 1/20 0.41
PPARG P37231 1/20 0.40
PPARD Q03181 1/20 0.40
PPARA Q07869 1/20 0.40
MRGPRX4 Q96LA9 1/20 0.40
BRAF P15056 2/20 0.39
KDR P35968 2/20 0.39
GSK3A P49840 2/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL15573105 0.92 DDR2 (0.62) DDR2RAF1SRCMAPK14SYK
SCHEMBL16990734 0.91 DDR2 (0.53) DDR2RAF1TRPV1PPARGPPARD
SCHEMBL16990646 0.90 DDR2 (0.51) DDR2RAF1SRCMAPK14SYK
SCHEMBL15575289 0.89 DDR2 (0.65) DDR2RAF1PPARGPPARDPPARA
SCHEMBL16990740 0.89 DDR2 (0.55) DDR2RAF1PPARGPPARDPPARA
SCHEMBL16990681 0.88 DDR2 (0.56) DDR2RAF1PPARGPPARDPPARA
SCHEMBL16990663 0.86 DDR2 (0.54) DDR2RAF1PPARGPPARDPPARA
SCHEMBL16990580 0.86 DDR2 (0.58) DDR2RAF1PPARGPPARDPPARA
SCHEMBL16990669 0.85 DDR2 (0.50) DDR2RAF1PPARGPPARDPPARA
SCHEMBL17000079 0.85 DDR2 (0.65) DDR2RAF1SRCMAPK14SYK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150225369-A1 DDR2 INHIBITORS FOR THE TREATMENT OF OSTEOARTHRITIS MERCK PATENT GMBH (DE) 2015-08-13 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-20150225369-A1 DDR2 INHIBITORS FOR THE TREATMENT OF OSTEOARTHRITIS DDR2, DDR1, DDRGK1 DDR2 1/4885RAF1 3072/4885SRC 244/4885

“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.