SCHEMBL3056962

SCHEMBL3056962

CS(=O)(=O)NC(N)(Cc1ccccc1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 1/20 0.41
RECQL P46063 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HIF1A Q16665 1/20 0.41
MAPK1 P28482 1/20 0.40
POLB P06746 1/20 0.40
NR3C2 P08235 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
LMNA P02545 2/20 0.38
CYP2D6 P10635 1/20 0.38
HSD17B10 Q99714 1/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA12 O43570 1/20 0.37
CA7 P43166 1/20 0.37
CA14 Q9ULX7 1/20 0.37

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
SCHEMBL3056484 0.79 CA12 (0.52) CYP1A2CYP3A4MAPK1CYP2C9CYP2C19
SCHEMBL6819636 0.79 CA12 (0.52) CYP1A2CYP3A4MAPK1CYP2C9CYP2C19
SCHEMBL6819477 0.79 CA12 (0.52) CYP1A2CYP3A4MAPK1CYP2C9CYP2C19
SCHEMBL31039996 0.78 CA12 (0.51) CYP1A2CYP3A4MAPK1CYP2C9CYP2C19
SCHEMBL27621650 0.78 ALDH1A1 (0.50) CYP1A2CYP3A4SMN1; SMN2NR3C2CYP2C19
SCHEMBL30888830 0.78 CA12 (0.51) CYP1A2CYP3A4MAPK1CYP2C9CYP2C19
SCHEMBL15273379 0.77 CA2 (0.40) SLC6A2TAAR1CYP1A2SMN1; SMN2HIF1A
SCHEMBL15273361 0.77 CA2 (0.40) SLC6A2TAAR1CYP1A2SMN1; SMN2HIF1A
SCHEMBL15272969 0.77 CA2 (0.40) SLC6A2TAAR1CYP1A2SMN1; SMN2HIF1A
SCHEMBL28501651 0.77 L3MBTL1 (0.52) CYP1A2CYP3A4SMN1; SMN2MAPK1NR3C2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107108416-B Preparation method of 1, 2-dicyclopropylethylphenol and optical isomer thereof 四川海思科制药有限公司 2019-12-20 CN claimed
CN-107108416-B Preparation method of 1, 2-dicyclopropylethylphenol and optical isomer thereof 四川海思科制药有限公司 2019-12-20 CN disclosed
CN-107074675-B Preparation method of chiral 2- [ 1-cyclopropylethyl ] -6-isopropyl-phenol 四川海思科制药有限公司 2019-12-20 CN disclosed
EP-2239057-B1 Asymmetric catalyst and process for preparing optically active alcohols using the same KANTO KAGAKU (JP) 2015-06-03 EP disclosed
US-8232420-B2 Asymmetric catalyst and process for preparing optically active alcohols using the same KANTO KAGAKU KABUSHIKI KAISHA (JP) 2012-07-31 US disclosed
US-20100261924-A1 ASYMMETRIC CATALYST AND PROCESS FOR PREPARING OPTICALLY ACTIVE ALCOHOLS USING THE SAME KANTO KAGAKU KABUSHIKI KAISHA (JP) 2010-10-14 US disclosed
EP-2239057-A1 Asymmetric catalyst and process for preparing optically active alcohols using the same Kanto Kagaku Kabushiki Kaisha (JP) 2010-10-13 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-20100261924-A1 ASYMMETRIC CATALYST AND PROCESS FOR PREPARING OPTICALLY ACTIVE ALCOHOLS USING THE SAME ADH1A, ADH1C, ADH5 SLC6A2 3224/4885TAAR1 48/4885CYP1A2 234/4885

“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.