SCHEMBL6155345

SCHEMBL6155345

COC(=O)N1CCC2(CC1)SCc1ccccc12

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 11/20 0.49
CYP2C19 P33261 8/20 0.49
MAPK1 P28482 4/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
HSD17B10 Q99714 8/20 0.48
USP2 O75604 4/20 0.48
TSHR P16473 5/20 0.47
CYP2D6 P10635 10/20 0.46
CYP2C9 P11712 5/20 0.46
CYP1A2 P05177 7/20 0.44
ALDH1A1 P00352 5/20 0.44
HIF1A Q16665 3/20 0.42
HPGD P15428 2/20 0.42
ALOX15 P16050 1/20 0.41

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
SCHEMBL6153677 0.87 APP (0.50) TSHRALDH1A1
SCHEMBL4871795 0.86 MAPK1 (0.45) MAPK1TSHRALOX15
SCHEMBL4866714 0.83 RBP4 (0.36) CYP2C19MAPK1MEN1KMT2AUSP2
SCHEMBL6154584 0.81 MEN1 (0.51) CYP2C19MEN1KMT2A
SCHEMBL6153877 0.78 KDM1A (0.41) CYP3A4CYP2C19MAPK1TSHR
SCHEMBL7379940 0.78 SIGMAR1 (0.41) MAPK1
SCHEMBL9963284 0.73 CYP2D6 (0.46) CYP2D6
SCHEMBL6155020 0.72 AVPR1A (0.51) CYP3A4CYP2C19MAPK1MEN1KMT2A
SCHEMBL6097273 0.71 NOTUM (0.58) CYP3A4CYP2C19MAPK1MEN1KMT2A
SCHEMBL25345704 0.70 CYP3A4 (0.49) CYP3A4CYP2C19MAPK1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050209262-A1 Process for producing optically active sulfoxide SANKYO COMPANY, LIMITED (JP) 2005-09-22 US disclosed
EP-1557420-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE SULFOXIDE Sankyo Company, Limited (JP) 2005-07-27 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-20050209262-A1 Process for producing optically active sulfoxide TST, TMT1A, PPOX CYP3A4 185/4885CYP2C19 967/4885MAPK1 2424/4885

“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.