SCHEMBL4954147

SCHEMBL4954147

CCC(=O)NC(SC)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.43
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
TDP1 Q9NUW8 2/20 0.32
FFAR3 O14843 1/20 0.32
PIN1 Q13526 1/20 0.31
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31
CHRM1 P11229 1/20 0.30
AKR1A1 P14550 1/20 0.30
CHRM3 P20309 1/20 0.30
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
ADRA1A P35348 1/20 0.30
HRH1 P35367 1/20 0.30
DRD3 P35462 1/20 0.30
SLC6A3 Q01959 1/20 0.30
HDAC1 Q13547 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
SCHEMBL4949838 0.83 HDAC3 (0.41) MEN1KMT2AMAPTFFAR3HDAC1
SCHEMBL4949826 0.83 TGFBR1 (0.31)
SCHEMBL4949463 0.81 CYP2C9 (0.42) CYP2C9MEN1KMT2AGAAMAPT
SCHEMBL4632774 0.81 KDM4E (0.36) MAPT
SCHEMBL4953275 0.78 CYP2C9 (0.39) CYP2C9MEN1KMT2AGAAMAPT
SCHEMBL4951668 0.75 CYP2C9 (0.37) CYP2C9MEN1KMT2AHDAC2
SCHEMBL4955444 0.75 KDM4E (0.41) MAPT
SCHEMBL4955697 0.72 NOD1 (0.42) CYP2C9MEN1KMT2APIN1LMNA
SCHEMBL29004046 0.72 CYP2C9 (0.50) CYP2C9MEN1KMT2AGAAMAPT
SCHEMBL4189346 0.70 ALDH1A1 (0.50) CYP2C9MAPT

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7465471-B2 Palatability of aquaculture feed NOVUS INTERNATIONAL, INC. (US) 2008-12-16 US disclosed
WO-2007147155-A1 POLYOL ESTER COMPOUNDS NOVUS INTERNATIONAL INC. (US) 2007-12-21 WO disclosed
US-20070292485-A1 POLYOL ESTER COMPOUNDS NOVUS INTERNATIONAL INC. (US) 2007-12-20 US disclosed
US-20050215623-A1 Palatability of aquaculture feed NOVUS INTERNATIONAL, INC. (US) 2005-09-29 US disclosed
US-20040175434-A1 Antimicrobial compositions NOVUS INTERNATIONAL, INC. 2004-09-09 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 (3 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-20070292485-A1 POLYOL ESTER COMPOUNDS PNLIP, ELOVL1, ELOVL5 CYP2C9 1149/4885MEN1 2064/4885KMT2A 3297/4885
US-20050215623-A1 Palatability of aquaculture feed TAS2R3, TAS2R1, TAS2R20 CYP2C9 3402/4885MEN1 3594/4885KMT2A 2169/4885
US-20040175434-A1 Antimicrobial compositions MRPL21, FPR1, ARG1 CYP2C9 2829/4885MEN1 2708/4885KMT2A 4801/4885

“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.