SCHEMBL3472335

SCHEMBL3472335

CCOC(=O)c1c(NC(=O)/C=C/C(=O)O)sc(C)c1-c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 16/20 1.00
LMNA P02545 9/20 1.00
THRB P10828 7/20 1.00
HTT P42858 5/20 1.00
MAPT P10636 9/20 0.84
SMN1; SMN2 Q16637 6/20 0.84
NPSR1 Q6W5P4 5/20 0.82
MEN1 O00255 2/20 0.82
KMT2A Q03164 2/20 0.82
RECQL P46063 2/20 0.79
POLB P06746 1/20 0.79
MAPK1 P28482 1/20 0.79
ATM Q13315 1/20 0.79
GAA P10253 2/20 0.60
HPGD P15428 3/20 0.59
KDM4E B2RXH2 2/20 0.59
PTBP1 P26599 1/20 0.59
TDP1 Q9NUW8 1/20 0.58
PTPN5 P54829 1/20 0.55

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
SCHEMBL3472339 1.00 ALDH1A1 (1.00) ALDH1A1LMNATHRBHTTMAPT
SCHEMBL12851713 0.92 ALDH1A1 (0.85) ALDH1A1LMNATHRBHTTMAPT
SCHEMBL13837687 0.84 ALDH1A1 (0.73) ALDH1A1LMNATHRBHTTMAPT
SCHEMBL3922155 0.82 ALDH1A1 (0.69) ALDH1A1LMNATHRBHTTMAPT
SCHEMBL3922152 0.82 ALDH1A1 (0.69) ALDH1A1LMNATHRBHTTMAPT
SCHEMBL2897457 0.81 ALDH1A1 (0.69) ALDH1A1LMNATHRBHTTMAPT
SCHEMBL8051335 0.78 ALDH1A1 (0.64) ALDH1A1LMNATHRBHTTMAPT
SCHEMBL8051341 0.78 ALDH1A1 (0.64) ALDH1A1LMNATHRBHTTMAPT
SCHEMBL3935830 0.75 ALDH1A1 (0.60) ALDH1A1LMNATHRBHTTMAPT
SCHEMBL2369163 0.74 MAPT (1.00) ALDH1A1LMNATHRBHTTMAPT

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 17 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-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-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-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-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-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
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 ALDH1A1 4558/4885LMNA 700/4885THRB 4464/4885
US-20100035887-A1 THERAPEUTIC COMPOUNDS FOR BLOCKING DNA SYNTHESIS OF POX VIRUSES TPX2, POLB, POLM ALDH1A1 4558/4885LMNA 700/4885THRB 4464/4885
US-20130338117-A1 THERAPEUTIC COMPOUNDS FOR BLOCKING DNA SYNTHESIS OF POX VIRUSES TPX2, POLB, POLM ALDH1A1 4558/4885LMNA 700/4885THRB 4464/4885

“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.