SCHEMBL22210484

SCHEMBL22210484

CC(C)c1ccc(CC(C)(C)c2ccc3ncsc3c2)cc1F

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.34
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34
NPC1 O15118 5/20 0.33
RAB9A P51151 5/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
TGFBR1 P36897 2/20 0.33
POLB P06746 2/20 0.33
NTRK1 P04629 2/20 0.33
NTRK2 Q16620 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KDM4E B2RXH2 1/20 0.32
HKDC1 Q2TB90 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
FFAR1 O14842 1/20 0.31
CFTR P13569 1/20 0.31

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
SCHEMBL21363462 0.84 NTRK1 (0.36) TAS1R3TAS1R1NPC1RAB9AMEN1
SCHEMBL8203530 0.72 NPC1 (0.42) TAS1R3TAS1R1NPC1RAB9AMEN1
SCHEMBL20354335 0.70 NPC1 (0.44) TAS1R3TAS1R1NPC1RAB9AMEN1
SCHEMBL13547948 0.70 ESR1 (0.39)
SCHEMBL24984324 0.68 TGFBR1 (0.35) TAS1R3TAS1R1NPC1RAB9AMEN1
SCHEMBL17132538 0.68 TGFBR1 (0.35) TAS1R3TAS1R1NPC1RAB9AMEN1
SCHEMBL761993 0.68 MEN1 (0.52) TAS1R3TAS1R1NPC1RAB9AMEN1
SCHEMBL27439638 0.67 PANK3 (0.37) FFAR1
SCHEMBL23418541 0.67 TGFBR1 (0.41) NPC1RAB9AMEN1KMT2ATGFBR1
SCHEMBL10235035 0.66 RAB9A (0.42) TAS1R3TAS1R1NPC1RAB9AMEN1

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-10711004-B2 Oxadiazole transient receptor potential channel inhibitors GENENTECH, INC. (US) 2020-07-14 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-10711004-B2 Oxadiazole transient receptor potential channel inhibitors TRPA1, TRPV1, TRPV3 CYP3A4 888/4885TAS1R3 226/4885TAS1R1 258/4885

“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.