SCHEMBL21076444

SCHEMBL21076444

CC(C)c1cncc(CC(C)c2ccc(F)cn2)c1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 1/20 0.42
▸ ESR2 Q92731 1/20 0.42
▸ GPR55 Q9Y2T6 5/20 0.37
▸ APLNR P35414 2/20 0.36
▸ JAK2 O60674 3/20 0.35
▸ JAK3 P52333 2/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.32
▸ KCNH2 Q12809 2/20 0.31
▸ HRH1 P35367 1/20 0.31
▸ HTR7 P34969 1/20 0.30
▸ TRPA1 O75762 1/20 0.30
▸ GRM2 Q14416 1/20 0.30
▸ KMO O15229 1/20 0.30

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
SCHEMBL22388850 0.84 ESR1 (0.43) ESR1ESR2APLNRJAK2JAK3
SCHEMBL18811782 0.79 ESR1 (0.37) ESR1ESR2KCNH2
SCHEMBL22166866 0.78 APLNR (0.40) GPR55APLNRJAK2JAK3HDAC6
SCHEMBL19831132 0.76 GPR55 (0.35) ESR1ESR2GPR55GRM2
SCHEMBL22304261 0.74 ESR1 (0.35) ESR1ESR2APLNRJAK2JAK3
SCHEMBL21397356 0.73 ESR1 (0.31) ESR1ESR2
SCHEMBL21076611 0.73 ESR1 (0.37) ESR1ESR2KCNH2
SCHEMBL22895111 0.73 NR3C2 (0.41) ESR1ESR2HTR7
SCHEMBL23758345 0.72 ALDH1A1 (0.34) ESR1ESR2KCNH2
SCHEMBL18763535 0.71 LMNA (0.42) ESR1ESR2GPR55KCNH2HRH1

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-10695348-B2 Sulfonyl pyridyl TRP inhibitors GENENTECH, INC. (US) 2020-06-30 — — US disclosed
US-20190167681-A1 SULFONYL PYRIDYL TRP INHIBITORS GENENTECH, INC. (US) 2019-06-06 — — 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-10695348-B2 Sulfonyl pyridyl TRP inhibitors TRPA1, TRPV1, TRPV5 ESR1 3955/4885ESR2 3977/4885GPR55 146/4885
US-20190167681-A1 SULFONYL PYRIDYL TRP INHIBITORS TRPA1, TRPV1, TRPV5 ESR1 3955/4885ESR2 3977/4885GPR55 146/4885

“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.

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