SCHEMBL6723364

SCHEMBL6723364

CC(=O)CSCC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.41
ALDH1A1 P00352 4/20 0.33
CYP1A2 P05177 1/20 0.33
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
MAPT P10636 1/20 0.31
TRPA1 O75762 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
SCHEMBL3642875 0.79 ALDH1A1 (0.39) ALDH1A1CYP1A2TDP1
SCHEMBL979835 0.77 CES2 (0.40) CES2ALDH1A1CYP1A2TSHRTDP1
SCHEMBL1006516 0.76
SCHEMBL6731108 0.75 TDP1 (0.41) TDP1
SCHEMBL18470044 0.74 HSD17B10 (0.30) TDP1
SCHEMBL6726397 0.73
SCHEMBL6730721 0.72 CES1 (0.35) CES2ALDH1A1TSHR
SCHEMBL12263864 0.70 ALDH1A1 (0.33) ALDH1A1
SCHEMBL22966410 0.70 CES2 (0.39) CES2ALDH1A1CYP1A2TSHR
SCHEMBL15663157 0.69 CES2 (0.58) CES2ALDH1A1CYP1A2TSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8952147-B2 Conjugates, preparation thereof, and therapeutic use thereof SANOFI (FR) 2015-02-10 US disclosed
US-20140256685-A1 USE OF AGONISTS OF FORMYL PEPTIDE RECEPTOR 2 FOR TREATING DERMATOLOGICAL DISEASES ALLERGAN, INC. (US) 2014-09-11 US disclosed
US-8492556-B2 2,5-Dioxoimidazolidin-1-yl-3-phenylurea derivatives as formyl peptide receptor like-1 (FPRL-1) receptor modulators ALLERGAN, INC. (US) 2013-07-23 US disclosed
US-20130123215-A1 2,5-DIOXOIMIDAZOLIDIN-1-YL-3-PHENYLUREA DERIVATIVES AS FORMYL PEPTIDE RECEPTOR LIKE-1 (FPRL-1) RECEPTOR MODULATORS ALLERGAN, INC. (US) 2013-05-16 US disclosed
US-20120225089-A1 NOVEL CONJUGATES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-09-06 US disclosed
US-20040224251-A1 Positive resist composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-11-11 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 (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-20120225089-A1 NOVEL CONJUGATES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF ERG28, CARS1, FOLH1 CES2 445/4885ALDH1A1 1912/4885CYP1A2 1440/4885
US-20130123215-A1 2,5-DIOXOIMIDAZOLIDIN-1-YL-3-PHENYLUREA DERIVATIVES AS FORMYL PEPTIDE RECEPTOR LIKE-1 (FPRL-1) RECEPTOR MODULATORS FPR1, FPR2, FPR3 CES2 4587/4885ALDH1A1 3811/4885CYP1A2 3201/4885
US-20140256685-A1 USE OF AGONISTS OF FORMYL PEPTIDE RECEPTOR 2 FOR TREATING DERMATOLOGICAL DISEASES FPR2, FPR1, FPR3 CES2 3636/4885ALDH1A1 4552/4885CYP1A2 2086/4885

“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.