SCHEMBL17523698

SCHEMBL17523698

CCC[C@@H](CCS)C(=O)OCC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 2/20 0.47
HDAC1 Q13547 2/20 0.43
HDAC2 Q92769 2/20 0.43
HDAC7 Q8WUI4 2/20 0.43
HDAC8 Q9BY41 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43
HDAC9 Q9UKV0 2/20 0.43
HDAC5 Q9UQL6 2/20 0.43
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
CHRM1 P11229 2/20 0.43
CHRM3 P20309 2/20 0.43
ADRA1A P35348 2/20 0.43
AKR1A1 P14550 1/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
HRH1 P35367 1/20 0.43
DRD3 P35462 1/20 0.43

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
SCHEMBL28091281 1.00 CPB2 (0.47) CPB2HDAC1HDAC2HDAC7HDAC8
SCHEMBL16063866 1.00 CPB2 (0.47) CPB2HDAC1HDAC2HDAC7HDAC8
SCHEMBL2877699 0.94 CPB2 (0.52) CPB2HDAC1HDAC2HDAC7HDAC8
SCHEMBL4726173 0.89 HDAC1 (0.52) CPB2HDAC1HDAC2HDAC7HDAC8
SCHEMBL9205624 0.85 CPB2 (0.62) CPB2HDAC1HDAC2HDAC7HDAC8
SCHEMBL10578076 0.85 CPB2 (0.49) CPB2CA1CA2ALDH1A1MEN1
SCHEMBL2877702 0.85 CPB2 (0.62) CPB2ALDH1A1MEN1NPC1KMT2A
SCHEMBL7913384 0.81 CA2 (0.53) CPB2HDAC1HDAC2HDAC7HDAC8
SCHEMBL17523695 0.81 HDAC1 (0.44) CPB2HDAC1HDAC2HDAC7HDAC8
SCHEMBL28078262 0.81 HDAC1 (0.44) CPB2HDAC1HDAC2HDAC7HDAC8

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-20160039879-A1 NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF S&T GLOBAL INC. (US) 2016-02-11 US disclosed
US-20160039879-A1 NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF S&T GLOBAL INC. (US) 2016-02-11 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-20160039879-A1 NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF FKBP1B, MALT1, FKBP5 CPB2 2158/4885HDAC1 779/4885HDAC2 498/4885

“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.