SCHEMBL1049249

SCHEMBL1049249

Cc1cc(F)ccc1Cn1nc(/C=C/C(=O)O)c2ccc(C(F)(F)F)cc21

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 2/20 0.40
SLC22A12 Q96S37 3/20 0.40
PTGDR2 Q9Y5Y4 9/20 0.38
PTGER1 P34995 1/20 0.37
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 1/20 0.36
SLC2A1 P11166 1/20 0.35
SLC2A3 P11169 1/20 0.35
SLC2A4 P14672 1/20 0.35
PTGER4 P35408 1/20 0.35
KCNK3 O14649 1/20 0.35
PDE5A O76074 1/20 0.35
PDE9A O76083 1/20 0.35

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
SCHEMBL1049251 1.00 ENPP2 (0.40) ENPP2SLC22A12PTGDR2PTGER1NR1H2
SCHEMBL1048115 0.90 ENPP2 (0.41) ENPP2SLC22A12PTGDR2PTGER1PTGER4
SCHEMBL1048113 0.90 ENPP2 (0.41) ENPP2SLC22A12PTGDR2PTGER1PTGER4
SCHEMBL1050824 0.90 ENPP2 (0.45) ENPP2SLC22A12PTGDR2PTGER1PTGER4
SCHEMBL1050822 0.90 ENPP2 (0.45) ENPP2SLC22A12PTGDR2PTGER1PTGER4
SCHEMBL12693789 0.89 ENPP2 (0.44) ENPP2SLC22A12PTGDR2PTGER1NR1H2
SCHEMBL1050462 0.86 SLC22A12 (0.42) ENPP2SLC22A12PTGDR2PTGER1PTGER4
SCHEMBL1050464 0.86 SLC22A12 (0.42) ENPP2SLC22A12PTGDR2PTGER1PTGER4
SCHEMBL1081631 0.86 ALOX5AP (0.39) ENPP2SLC2A1SLC2A3SLC2A4KCNK3
SCHEMBL1081633 0.86 ALOX5AP (0.39) ENPP2SLC2A1SLC2A3SLC2A4KCNK3

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
EP-2502624-A1 Lonidamine analogues and their use in male contraception and cancer treatment THE UNIVERSITY OF KANSAS (US) 2012-09-26 EP claimed
EP-1786424-A2 LONIDAMINE ANALOGUES AND THEIR USE IN MALE CONTRACEPTION AND CANCER TREATMENT The University of Kansas (US) 2007-05-23 EP claimed
US-20060047126-A1 Lonidamine analogues and their use in male contraception and cancer treatment NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2006-03-02 US claimed
WO-2006023704-A2 LONIDAMINE ANALOGUES AND THEIR USE IN MALE CONTRACEPTION AND CANCER TREATMENT UNIVERSITY OF KANSAS (US) 2006-03-02 WO claimed
US-20130123296-A1 LONIDAMINE ANALOGUES FOR FERTILITY MANAGEMENT THE UNIVERSITY OF KANSAS (US) 2013-05-16 US disclosed
US-8377958-B2 Lonidamine analogues for fertility management THE UNIVERSITY OF KANSAS (US) 2013-02-19 US disclosed
US-8362031-B2 Lonidamine analogues and treatment of polycystic kidney disease UNIVERSITY OF KANSAS (US) 2013-01-29 US disclosed
EP-2451783-A2 LONIDAMINE ANALOGUES FOR FERTILITY MANAGEMENT University Of Kansas (US) 2012-05-16 EP disclosed
US-20110060003-A1 LONIDAMINE ANALOGUES FOR FERTILITY MANAGEMENT UNIVERSITY OF KANSAS 2011-03-10 US disclosed
WO-2011005759-A2 LONIDAMINE ANALOGUES FOR FERTILITY MANAGEMENT UNIVERSITY OF KANSAS (US) 2011-01-13 WO disclosed
US-20090197911-A1 LONIDAMINE ANALOGUES AND TREATMENT OF POLYCYSTIC KIDNEY DISEASE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-08-06 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 (4 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-20060047126-A1 Lonidamine analogues and their use in male contraception and cancer treatment TRAP1, HSPE1, HSF1 ENPP2 1618/4885SLC22A12 3712/4885PTGDR2 3663/4885
US-20130123296-A1 LONIDAMINE ANALOGUES FOR FERTILITY MANAGEMENT SHBG, GNRHR, FSHR ENPP2 1075/4885SLC22A12 1351/4885PTGDR2 828/4885
US-20090197911-A1 LONIDAMINE ANALOGUES AND TREATMENT OF POLYCYSTIC KIDNEY DISEASE PKD1, PKD2, RAF1 ENPP2 3917/4885SLC22A12 1256/4885PTGDR2 1364/4885
US-20110060003-A1 LONIDAMINE ANALOGUES FOR FERTILITY MANAGEMENT SHBG, GNRHR, FSHR ENPP2 1075/4885SLC22A12 1351/4885PTGDR2 828/4885

“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.