SCHEMBL1921435

SCHEMBL1921435

CC(=O)OC[C@H]1OC(N=C=S)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.56
THRB P10828 1/20 0.56
HSD17B10 Q99714 1/20 0.56
TSHR P16473 1/20 0.51
NR3C1 P04150 1/20 0.51
FYN P06241 1/20 0.51
ADRA2A P08913 1/20 0.51
ADORA3 P0DMS8 1/20 0.51
ADRA2B P18089 1/20 0.51
DRD4 P21917 1/20 0.51
DRD3 P35462 1/20 0.51
CA2 P00918 10/20 0.50
CA12 O43570 9/20 0.50
CA1 P00915 9/20 0.50
CA9 Q16790 5/20 0.50
PKM P14618 1/20 0.49
OGA O60502 1/20 0.47
PTPN1 P18031 1/20 0.46
CA4 P22748 5/20 0.45
CA5A P35218 5/20 0.45

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
SCHEMBL5489564 1.00 CYP2D6 (0.56) CYP2D6THRBHSD17B10TSHRNR3C1
SCHEMBL9614389 1.00 CYP2D6 (0.56) CYP2D6THRBHSD17B10TSHRNR3C1
SCHEMBL9614375 1.00 CYP2D6 (0.56) CYP2D6THRBHSD17B10TSHRNR3C1
SCHEMBL1357029 1.00 CYP2D6 (0.56) CYP2D6THRBHSD17B10TSHRNR3C1
SCHEMBL3794903 1.00 CYP2D6 (0.56) CYP2D6THRBHSD17B10TSHRNR3C1
SCHEMBL13713745 1.00 CYP2D6 (0.56) CYP2D6THRBHSD17B10TSHRNR3C1
SCHEMBL16946235 1.00 CYP2D6 (0.56) CYP2D6THRBHSD17B10TSHRNR3C1
SCHEMBL3794899 1.00 CYP2D6 (0.56) CYP2D6THRBHSD17B10TSHRNR3C1
SCHEMBL14342159 1.00 CYP2D6 (0.56) CYP2D6THRBHSD17B10TSHRNR3C1
SCHEMBL8908686 0.89 CYP2D6 (0.56) CYP2D6THRBHSD17B10TSHRNR3C1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8242062-B2 IMS detection of chemical markers in petroleum products AUTHENTIX, INC. (US) 2012-08-14 US disclosed
US-20110262977-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE AMINE DERIVATIVE DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2011-10-27 US disclosed
EP-2330210-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE AMINE DERIVATIVE Daicel Chemical Industries, Ltd. (JP) 2011-06-08 EP disclosed
US-20070212785-A1 IMS DETECTION OF CHEMICAL MARKERS IN PETROLEUM PRODUCTS AUTHENTIX, INC. (US) 2007-09-13 US disclosed
US-7208451-B2 IMS detection of chemical markers in petroleum products AUTHENTIC INC. (US) 2007-04-24 US disclosed
WO-2005099689-A1 TOPICAL DELIVERY OF PHTHALOCYANINES CASE WESTERN RESERVE UNIVERSITY (US) 2005-10-27 WO disclosed
US-20040147413-A1 IMS detection of chemical markers in petroleum products AUTHENTIX, INC. 2004-07-29 US disclosed
US-20020187562-A1 Materials for separating and detecting enantiomers of amphetamine or methamphetamine, and their application LUA AHAI-CHANG (TW) 2002-12-12 US disclosed
WO-1993023570-A1 OLIGONUCLEOTIDES HAVING CONJUGATES ATTACHED AT THE 2'-POSITION OF THE SUGAR MOIETY PHARMAGENICS, INC. (US) 1993-11-25 WO disclosed
EP-0462980-A4 PLATINUM PHARMACEUTICAL AGENTS 1992-03-11 EP disclosed
EP-0462980-A1 PLATINUM PHARMACEUTICAL AGENTS GEORGETOWN UNIVERSITY (US) 1992-01-02 EP disclosed
US-4946954-A ANTICARCINOGENIC AGENTS GEORGETOWN UNIVERSITY (US) 1990-08-07 US disclosed
WO-1990008157-A1 PLATINUM PHARMACEUTICAL AGENTS GEORGETOWN UNIVERSITY (US) 1990-07-26 WO disclosed
US-4895936-A Water soluble anticancer agents GEORGETOWN UNIVERSITY (US) 1990-01-23 US disclosed
US-4895935-A ANTITUMOR GEORGETOWN UNIVERSITY (US) 1990-01-23 US disclosed
US-4025622-A ANTIBACTERIAL Ogura, Haruo (JA) 1977-05-24 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 (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-20110262977-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE AMINE DERIVATIVE PADI4, INMT, SMS CYP2D6 523/4885THRB 3343/4885HSD17B10 2196/4885

“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.