SCHEMBL18179221

SCHEMBL18179221

Cc1cc(C#N)c(Cl)cc1C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AR P10275 17/20 0.46
LRRK2 Q5S007 1/20 0.40
SLC22A12 Q96S37 2/20 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
SCHEMBL24986399 0.85 AR (0.47) ARLRRK2
SCHEMBL12724980 0.83 AR (0.39) ARSLC22A12
SCHEMBL19734892 0.80 AR (0.44) ARSLC22A12
SCHEMBL311743 0.78 AR (0.44) AR
SCHEMBL22917962 0.78 AR (0.47) ARLRRK2
SCHEMBL8915338 0.78 RAPGEF4 (0.41)
SCHEMBL18179223 0.78 TRPV4 (0.45) ARSLC22A12
SCHEMBL30855350 0.78 RAPGEF4 (0.41)
SCHEMBL28391831 0.76 AR (0.51) AR
SCHEMBL12812120 0.76 AR (0.53) AR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170362210-A1 ANTI-ESTROGENIC COMPOUNDS PFIZER INC. (US) 2017-12-21 US disclosed
WO-2016174551-A1 ANTI-ESTROGENIC COMPOUNDS PFIZER INC. (US) 2016-11-03 WO disclosed
US-20160311805-A1 ANTI-ESTROGENIC COMPOUNDS PFIZER INC. (US) 2016-10-27 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-20170362210-A1 ANTI-ESTROGENIC COMPOUNDS ESR1, ESRRA, ESR2 AR 44/4885LRRK2 2542/4885SLC22A12 2546/4885
US-20160311805-A1 ANTI-ESTROGENIC COMPOUNDS ESR1, ESRRA, ESR2 AR 44/4885LRRK2 2542/4885SLC22A12 2546/4885

“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.