SCHEMBL1837571

SCHEMBL1837571

CC(=O)CC1CCC(C)(C)CC1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.37
NAMPT P43490 1/20 0.34
LMNA P02545 1/20 0.33
BLM P54132 1/20 0.33
AKR1C3 P42330 1/20 0.31
FFAR4 Q5NUL3 1/20 0.31
LIPA P38571 1/20 0.31
APLNR P35414 1/20 0.30
IDO1 P14902 1/20 0.30
TDO2 P48775 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
SCHEMBL16350871 0.84 ESR2 (0.33) NAMPTAKR1C3FFAR4LIPA
SCHEMBL30507548 0.84 NAMPT (0.35) EPHX2NAMPTLMNABLMFFAR4
SCHEMBL939927 0.82 FFAR4 (0.44) LMNABLMFFAR4
SCHEMBL6273456 0.80 LMNA (0.36) EPHX2NAMPTLMNABLMFFAR4
SCHEMBL15116404 0.80 EPHX2 (0.39) EPHX2NAMPTAKR1C3FFAR4LIPA
SCHEMBL15043693 0.80 LIPA (0.38) NAMPTLMNAAKR1C3LIPA
SCHEMBL14576723 0.80 LIPA (0.38) NAMPTLMNAAKR1C3LIPA
SCHEMBL526891 0.80
SCHEMBL14306150 0.78 TDP1 (0.36) EPHX2NAMPTLMNABLMFFAR4
Hydrochloric Acid SCHEMBL29904545 0.78 LMNA (0.35) EPHX2NAMPTLMNABLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8563742-B2 Substituted aminothiazole derivatives, pharmaceutical compositions, and methods of use HIGH POINT PHARMACEUTICALS, LLC (US) 2013-10-22 US disclosed
EP-2320738-A1 SUBSTITUTED AMINOTHIAZOLE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE TransTech Pharma, Inc. (US) 2011-05-18 EP disclosed
US-20100056587-A1 Substituted Aminothiazole Derivatives, Pharmaceutical Compositions, And Methods Of Use VTVX HOLDINGS I LLC 2010-03-04 US disclosed
WO-2010025142-A1 SUBSTITUTED AMINOTHIAZOLE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE TRANSTECH PHARMA, INC. (US) 2010-03-04 WO 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-20100056587-A1 Substituted Aminothiazole Derivatives, Pharmaceutical Compositions, And Methods Of Use MC4R, MC3R, MC5R EPHX2 4761/4885NAMPT 152/4885LMNA 4558/4885

“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.