SCHEMBL14968474

SCHEMBL14968474

CCC[C@@](F)(CC)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.35
CYP1A2 P05177 2/20 0.35
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 2/20 0.35
THRB P10828 1/20 0.35
CES2 O00748 3/20 0.34
FAAH O00519 8/20 0.33
CES1 P23141 5/20 0.32
HSD17B10 Q99714 1/20 0.32
FFAR3 O14843 2/20 0.32
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
FDPS P14324 1/20 0.31
ARG1 P05089 1/20 0.31
ARG2 P78540 1/20 0.31
LPAR1 Q92633 1/20 0.30
LPAR3 Q9UBY5 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
SCHEMBL14968473 1.00 MEN1 (0.35) MEN1CYP1A2KMT2AALDH1A1THRB
SCHEMBL7082748 0.90 CES2 (0.37) MEN1CYP1A2KMT2AALDH1A1THRB
SCHEMBL11289269 0.86 CES2 (0.41) MEN1CYP1A2KMT2ACES2FAAH
SCHEMBL7021597 0.84
SCHEMBL27534637 0.79 CES2 (0.48) MEN1CYP1A2KMT2AALDH1A1CES2
SCHEMBL5936825 0.79 ALDH1A1 (0.31) ALDH1A1CES2FAAHHSD17B10LPAR1
SCHEMBL27571528 0.78 HSD17B10 (0.38) MEN1CYP1A2KMT2AALDH1A1THRB
SCHEMBL27372386 0.78 CES2 (0.52) MEN1CYP1A2KMT2AALDH1A1CES2
SCHEMBL28294219 0.77
SCHEMBL7757189 0.76 ALDH1A1 (0.35) ALDH1A1CES2FAAHCES1

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-20130129753-A1 CYTOTOXIC PEPTIDES AND ANTIBODY DRUG CONJUGATES THEREOF PFIZER INC. (US) 2013-05-23 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-20130129753-A1 CYTOTOXIC PEPTIDES AND ANTIBODY DRUG CONJUGATES THEREOF NGLY1, CD47, CD81 MEN1 998/4885CYP1A2 4757/4885KMT2A 2895/4885

“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.