SCHEMBL14185010

SCHEMBL14185010

CC(C)(C)Nc1ccc(C(F)(F)F)nc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.48
CYP2C9 P11712 1/20 0.48
SLC22A6 Q4U2R8 1/20 0.48
SLC22A8 Q8TCC7 1/20 0.48
SLC22A12 Q96S37 1/20 0.48
SLC22A11 Q9NSA0 1/20 0.48
ABL1 P00519 1/20 0.41
BCR P11274 1/20 0.41
EPHX2 P34913 2/20 0.40
IDH1 O75874 2/20 0.39
IDH2 P48735 2/20 0.39
USP30 Q70CQ3 2/20 0.39
DGAT1 O75907 1/20 0.38
TRPV1 Q8NER1 4/20 0.36
APP P05067 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35

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
SCHEMBL21016948 0.81 TGFBR1 (0.40) CYP2C9SLC22A6SLC22A8SLC22A12SLC22A11
SCHEMBL8171100 0.80 TRPV4 (0.52) TRPV4CYP2C9SLC22A6SLC22A8SLC22A12
SCHEMBL8167475 0.79 TRPV4 (0.47) TRPV4CYP2C9SLC22A6SLC22A8SLC22A12
Hydrochloric Acid SCHEMBL29162081 0.78 TRPV4 (0.50) TRPV4CYP2C9SLC22A6SLC22A8SLC22A12
SCHEMBL28224487 0.78 TRPV4 (0.46) TRPV4CYP2C9SLC22A6SLC22A8SLC22A12
SCHEMBL24497681 0.76 TRPV4 (0.52) TRPV4CYP2C9SLC22A6SLC22A8SLC22A12
SCHEMBL2216854 0.76 TRPV4 (0.52) TRPV4CYP2C9SLC22A6SLC22A8SLC22A12
SCHEMBL11900937 0.76 TRPV4 (0.52) TRPV4CYP2C9SLC22A6SLC22A8SLC22A12
SCHEMBL31148778 0.76 TRPV4 (0.52) TRPV4CYP2C9SLC22A6SLC22A8SLC22A12
SCHEMBL14185017 0.76 KCNQ3 (0.39) CYP2C9

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-20080125399-A1 17 Beta-Acetamide-4-Azasteroids As Androgen Receptor Modulators MERCK SHARP & DOHME CORP. 2008-05-29 US disclosed
US-20080125399-A1 17 Beta-Acetamide-4-Azasteroids As Androgen Receptor Modulators MERCK SHARP & DOHME CORP. 2008-05-29 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-20080125399-A1 17 Beta-Acetamide-4-Azasteroids As Androgen Receptor Modulators AR, CYP17A1, SHBG TRPV4 3773/4885CYP2C9 2669/4885SLC22A6 4093/4885

“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.