SCHEMBL3473170

SCHEMBL3473170

NC(CSC1(c2ccc(Cl)cc2)c2ccccc2-c2ccccc21)C(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 1.00
CYP2C19 P33261 1/20 1.00
HIF1A Q16665 1/20 1.00
KIF11 P52732 19/20 0.82

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
SCHEMBL7325423 0.91 KIF11 (1.00) CYP1A2CYP2C19HIF1AKIF11
SCHEMBL7325416 0.91 KIF11 (1.00) CYP1A2CYP2C19HIF1AKIF11
SCHEMBL7317498 0.87 KIF11 (1.00) CYP1A2CYP2C19HIF1AKIF11
SCHEMBL7317503 0.87 KIF11 (1.00) CYP1A2CYP2C19HIF1AKIF11
SCHEMBL7317508 0.81 KIF11 (0.81) CYP1A2CYP2C19HIF1AKIF11
SCHEMBL7316099 0.79 KIF11 (0.77) CYP1A2CYP2C19HIF1AKIF11
SCHEMBL7316096 0.79 KIF11 (0.77) CYP1A2CYP2C19HIF1AKIF11
SCHEMBL7325876 0.79 KIF11 (0.85) CYP1A2CYP2C19HIF1AKIF11
SCHEMBL7325870 0.79 KIF11 (0.85) CYP1A2CYP2C19HIF1AKIF11
SCHEMBL7325988 0.77 KIF11 (0.75) CYP1A2CYP2C19HIF1AKIF11

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 11 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-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-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-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-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
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 CYP1A2 2970/4885CYP2C19 2239/4885HIF1A 703/4885
US-20100035887-A1 THERAPEUTIC COMPOUNDS FOR BLOCKING DNA SYNTHESIS OF POX VIRUSES TPX2, POLB, POLM CYP1A2 2970/4885CYP2C19 2239/4885HIF1A 703/4885
US-20130338117-A1 THERAPEUTIC COMPOUNDS FOR BLOCKING DNA SYNTHESIS OF POX VIRUSES TPX2, POLB, POLM CYP1A2 2970/4885CYP2C19 2239/4885HIF1A 703/4885

“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.