SCHEMBL2313022

SCHEMBL2313022

CCCCC(CC)CC(=O)OCl

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.51
TSHR P16473 3/20 0.51
TDP1 Q9NUW8 2/20 0.51
ATM Q13315 1/20 0.51
CA2 P00918 7/20 0.47
ALDH1A1 P00352 5/20 0.47
RECQL P46063 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.43
CA1 P00915 2/20 0.40
MAPK1 P28482 2/20 0.39
MMP9 P14780 1/20 0.38
MMP8 P22894 1/20 0.38
MMP14 P50281 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL28260625 0.83 CYP3A4 (0.59) CYP3A4TSHRTDP1ATMCA2
SCHEMBL14022813 0.82 CYP3A4 (0.53) CYP3A4TSHRTDP1ATMCA2
SCHEMBL28326178 0.82 CYP3A4 (0.53) CYP3A4TSHRTDP1ATMCA2
SCHEMBL28005285 0.81 CYP3A4 (0.51) CYP3A4TSHRTDP1ATMCA2
SCHEMBL8334750 0.81 CYP3A4 (0.56) CYP3A4TSHRTDP1ATMCA2
SCHEMBL28246238 0.79 CYP3A4 (0.74) CYP3A4TSHRTDP1ATMCA2
SCHEMBL28796104 0.78 CA2 (0.37) CYP3A4TSHRTDP1ATMCA2
SCHEMBL20132835 0.78 NAAA (0.53) CYP3A4TSHRTDP1ATMCA2
SCHEMBL27563795 0.78 CYP3A4 (0.49) CYP3A4TSHRTDP1ATMCA2
SCHEMBL12923909 0.78 CYP3A4 (0.49) CYP3A4TSHRTDP1ATMCA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0414655-A1 Improved process for the production of carbonate esters MONSANTO COMPANY (US) 1991-02-27 EP claimed
US-20150307454-A1 Sulfonamide Compound KALLYOPE, INC. 2015-10-29 US disclosed
WO-2011092284-A1 NOVEL AMINO ACID DERIVATIVES AND THEIR USE AS GPR43 RECEPTOR MODULATORS EUROSCREEN S.A. (BE) 2011-08-04 WO disclosed
EP-2120569-A2 SPIROCHROMANON DERIVATIVES Merck & Co., Inc. (US) 2009-11-25 EP disclosed
EP-2111406-A1 SUBSTITUTED SPIROCHROMANONE DERIVATIVES AS ACC INHIBITORS Merck & Co., Inc. (US) 2009-10-28 EP disclosed
WO-2008088688-A1 SUBSTITUTED SPIROCHROMANONE DERIVATIVES AS ACC INHIBITORS MERCK & CO., INC. (US) 2008-07-24 WO disclosed
WO-2008088692-A2 SPIROCHROMANON DERIVATIVES MERCK & CO., INC. (US) 2008-07-24 WO disclosed
EP-0381135-A2 Novel hydroxy-peroxides and their uses ATOCHEM NORTH AMERICA, INC. (US) 1990-08-08 EP disclosed
EP-0273990-A1 Novel organic peroxides and their use in the preparation of epoxide groups containing (co)polymers AKZO N.V. (NL) 1988-07-13 EP 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-20150307454-A1 Sulfonamide Compound TRPM8, TRPM5, TRPM7 CYP3A4 1795/4885TSHR 799/4885TDP1 4632/4885

“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.