SCHEMBL3471771

SCHEMBL3471771

N[C@@H](CSC1c2ccccc2-c2ccccc21)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 13/20 0.48
CYP1A2 P05177 2/20 0.44
TSHR P16473 1/20 0.44
MAPT P10636 1/20 0.44
XBP1 P17861 1/20 0.44
ALPI P09923 1/20 0.43
PKM P14618 1/20 0.43
PTGS1 P23219 1/20 0.43
XIAP P98170 1/20 0.43
SLC7A5 Q01650 1/20 0.43
CYP2C19 P33261 1/20 0.43
HIF1A Q16665 1/20 0.43
DNMT1 P26358 1/20 0.42

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
SCHEMBL14459215 0.84 KIF11 (0.47) KIF11ALPIPKMPTGS1XIAP
SCHEMBL14459222 0.83 KIF11 (0.51) KIF11DNMT1
SCHEMBL3056174 0.83 GRM2 (0.46) KIF11ALPIPKMPTGS1XIAP
SCHEMBL3056170 0.83 GRM2 (0.46) KIF11ALPIPKMPTGS1XIAP
SCHEMBL31537531 0.83 GRM2 (0.46) KIF11ALPIPKMPTGS1XIAP
SCHEMBL14459219 0.83 KIF11 (0.45) KIF11ALPIPKMPTGS1XIAP
SCHEMBL14537461 0.78 KIF11 (0.46) KIF11CYP1A2TSHRALPIPKM
SCHEMBL2256055 0.75 IDO1 (0.59) KIF11CYP1A2TSHRALPIPKM
SCHEMBL19367971 0.75 IDO1 (0.59) KIF11CYP1A2TSHRALPIPKM
SCHEMBL2256059 0.75 IDO1 (0.59) KIF11CYP1A2TSHRALPIPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9211296-B2 Therapeutic compounds for blocking DNA synthesis of POX viruses THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2015-12-15 US disclosed
US-20130338117-A1 THERAPEUTIC COMPOUNDS FOR BLOCKING DNA SYNTHESIS OF POX VIRUSES THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2013-12-19 US disclosed
US-8524719-B2 Therapeutic compounds for blocking DNA synthesis of pox viruses THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2013-09-03 US disclosed
US-8349899-B1 Selective inhibitors of EG5 motors and methods of use ARROWHEAD CENTER, INC. (US) 2013-01-08 US disclosed
US-8349899-B1 Selective inhibitors of EG5 motors and methods of use ARROWHEAD CENTER, INC. (US) 2013-01-08 US disclosed
US-20120322770-A1 THERAPEUTIC COMPOUNDS FOR BLOCKING DNA SYNTHESIS OF POX VIRUSES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-12-20 US disclosed
US-8278342-B2 Therapeutic compounds for blocking DNA synthesis of pox viruses THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2012-10-02 US disclosed
US-20100035887-A1 THERAPEUTIC COMPOUNDS FOR BLOCKING DNA SYNTHESIS OF POX VIRUSES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-02-11 US disclosed
WO-2009008906-A2 THERAPEUTIC COMPOUNDS FOR BLOCKING DNA SYNTHESIS OF POX VIRUSES THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2009-01-15 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 (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-20120322770-A1 THERAPEUTIC COMPOUNDS FOR BLOCKING DNA SYNTHESIS OF POX VIRUSES TPX2, POLB, POLM KIF11 4204/4885CYP1A2 2970/4885TSHR 4583/4885
US-20100035887-A1 THERAPEUTIC COMPOUNDS FOR BLOCKING DNA SYNTHESIS OF POX VIRUSES TPX2, POLB, POLM KIF11 4204/4885CYP1A2 2970/4885TSHR 4583/4885
US-20130338117-A1 THERAPEUTIC COMPOUNDS FOR BLOCKING DNA SYNTHESIS OF POX VIRUSES TPX2, POLB, POLM KIF11 4204/4885CYP1A2 2970/4885TSHR 4583/4885

“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.