SCHEMBL17660263

SCHEMBL17660263

CC(C)CNC(=O)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 1/20 0.66
HPGD P15428 1/20 0.64
NPSR1 Q6W5P4 1/20 0.64
EPHX2 P34913 3/20 0.59
NR1H4 Q96RI1 1/20 0.59
TRPV1 Q8NER1 11/20 0.58
PPARG P37231 2/20 0.54
PPARA Q07869 2/20 0.54
HDAC3 O15379 1/20 0.53
HDAC1 Q13547 1/20 0.53
HDAC2 Q92769 1/20 0.53
GAA P10253 1/20 0.51
KMT2A Q03164 1/20 0.51
HSD17B10 Q99714 1/20 0.51
HDAC4 P56524 1/20 0.51
MCHR1 Q99705 1/20 0.51

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
SCHEMBL17865381 0.88 HPGD (0.57) MLYCDHPGDNPSR1EPHX2NR1H4
SCHEMBL13753069 0.83 EPHX2 (0.63) EPHX2NR1H4TRPV1PPARGPPARA
SCHEMBL13876984 0.82 TRPV1 (0.55) EPHX2NR1H4TRPV1PPARGPPARA
SCHEMBL17865783 0.82 MLYCD (0.73) MLYCDHPGDNPSR1EPHX2GAA
SCHEMBL24225548 0.81 HPGD (0.71) MLYCDHPGDNPSR1GAAKMT2A
SCHEMBL13702138 0.81 MLYCD (0.65) MLYCDNPSR1EPHX2NR1H4TRPV1
SCHEMBL19472407 0.80 EPHX2 (0.60) EPHX2NR1H4TRPV1PPARGPPARA
SCHEMBL13753142 0.80 HDAC3 (0.66) EPHX2NR1H4TRPV1PPARGPPARA
SCHEMBL12966949 0.80 MCHR1 (0.56) EPHX2NR1H4TRPV1PPARGPPARA
SCHEMBL12020316 0.80 EPHX2 (0.59) EPHX2NR1H4TRPV1PPARGPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10253023-B2 Heteroaryl compounds as BTK inhibitors and uses thereof MERCK PATENT GMBH (DE) 2019-04-09 US disclosed
US-20160096834-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2016-04-07 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 (2 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-10253023-B2 Heteroaryl compounds as BTK inhibitors and uses thereof BTK, SYK, LYN MLYCD 3603/4885HPGD 3809/4885NPSR1 4440/4885
US-20160096834-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF BTK, SYK, LYN MLYCD 3603/4885HPGD 3809/4885NPSR1 4440/4885

“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.