SCHEMBL13196153

SCHEMBL13196153

CC(C)NC(=O)/C=C(\C1CC1)C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.38
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
MLYCD O95822 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TAS1R3 Q7RTX0 1/20 0.31
TAS1R1 Q7RTX1 1/20 0.31
CHRNB2 P17787 1/20 0.30
CHRNB4 P30926 1/20 0.30
CHRNA3 P32297 1/20 0.30
CHRNA7 P36544 1/20 0.30
CHRNA4 P43681 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
SCHEMBL13173858 0.77 LMNA (0.34) SMN1; SMN2
SCHEMBL13196175 0.76 CYP1A2 (0.33) KMT2A
SCHEMBL13174322 0.74 TSHR (0.43) TSHRALDH1A1GAAMEN1KMT2A
SCHEMBL15482701 0.74 TSHR (0.43) TSHRALDH1A1GAAMEN1KMT2A
SCHEMBL12849316 0.72 TSHR (0.45) TSHRALDH1A1GAAMLYCD
SCHEMBL13196154 0.72 TSHR (0.45) TSHRALDH1A1GAAMLYCD
SCHEMBL12849269 0.71 TSHR (0.43) TSHRALDH1A1GAAMLYCD
SCHEMBL12849271 0.71 TSHR (0.43) TSHRALDH1A1GAAMLYCD
SCHEMBL9372016 0.68 CES2 (0.36) TSHRALDH1A1SMN1; SMN2
SCHEMBL9372018 0.68 CES2 (0.36) TSHRALDH1A1SMN1; SMN2

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-20120258967-A1 PI3 KINASE INHIBITORS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2012-10-11 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-20120258967-A1 PI3 KINASE INHIBITORS AND USES THEREOF PIK3CA, PIK3CB, PIK3C2B TSHR 4020/4885ALDH1A1 4394/4885GAA 823/4885

“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.