SCHEMBL22601341

SCHEMBL22601341

CCCCCC[C@H]1C[C@](O)(C(F)(F)F)C1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.36
LSS P48449 2/20 0.36
ALDH1A1 P00352 1/20 0.35
GBA1 P04062 6/20 0.35
MEN1 O00255 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
SPHK1 Q9NYA1 5/20 0.34
SPHK2 Q9NRA0 3/20 0.34
GUSB P08236 1/20 0.34
S1PR1 P21453 1/20 0.34
S1PR3 Q99500 1/20 0.34

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
SCHEMBL22105484 0.84 FYN (0.31)
SCHEMBL21347098 0.76 HSD11B1 (0.32)
SCHEMBL21101827 0.76 CYP1A2 (0.47) CYP1A2LSSHTT
SCHEMBL25934484 0.74 ALDH1A1 (0.41) CYP1A2LSSALDH1A1GBA1MEN1
SCHEMBL21347099 0.74 MAPT (0.33) GBA1
SCHEMBL11568158 0.70 GBA1 (0.37) GBA1
SCHEMBL2048536 0.70
SCHEMBL6749100 0.70 CYP1A2 (0.59) CYP1A2LSSALDH1A1MEN1HTT
SCHEMBL997470 0.70 CYP1A2 (0.59) CYP1A2LSSALDH1A1MEN1HTT
SCHEMBL6753110 0.70 CYP1A2 (0.59) CYP1A2LSSALDH1A1MEN1HTT

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-20200339542-A1 AMINOPYRAZINE DIOL COMPOUNDS AS PI3K-y INHIBITORS INCYTE CORPORATION 2020-10-29 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-20200339542-A1 AMINOPYRAZINE DIOL COMPOUNDS AS PI3K-y INHIBITORS PIK3CD, PIK3R5, PIK3CG CYP1A2 2051/4885LSS 1857/4885ALDH1A1 2648/4885

“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.