SCHEMBL1050464

SCHEMBL1050464

Cc1ccc(Cn2nc(C=CC(=O)O)c3ccc(C(F)(F)F)cc32)c(F)c1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 3/20 0.42
PTGDR2 Q9Y5Y4 7/20 0.40
PTGER4 P35408 1/20 0.39
ENPP2 Q13822 2/20 0.38
PKM P14618 1/20 0.38
PKLR P30613 1/20 0.38
PTGER1 P34995 1/20 0.37
KLKB1 P03952 1/20 0.37
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
AKR1B1 P15121 1/20 0.35
KCNK3 O14649 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
SCHEMBL1050462 1.00 SLC22A12 (0.42) SLC22A12PTGDR2PTGER4ENPP2PKM
SCHEMBL1048113 0.90 ENPP2 (0.41) SLC22A12PTGDR2PTGER4ENPP2PTGER1
SCHEMBL1048115 0.90 ENPP2 (0.41) SLC22A12PTGDR2PTGER4ENPP2PTGER1
SCHEMBL1048377 0.90 SLC22A12 (0.46) SLC22A12PTGDR2ENPP2PTGER1
SCHEMBL1048376 0.90 SLC22A12 (0.46) SLC22A12PTGDR2ENPP2PTGER1
SCHEMBL1045158 0.89 ENPP2 (0.46) SLC22A12PTGDR2PTGER4ENPP2PTGER1
SCHEMBL1045159 0.89 ENPP2 (0.46) SLC22A12PTGDR2PTGER4ENPP2PTGER1
SCHEMBL1049249 0.86 ENPP2 (0.40) SLC22A12PTGDR2PTGER4ENPP2PTGER1
SCHEMBL1049251 0.86 ENPP2 (0.40) SLC22A12PTGDR2PTGER4ENPP2PTGER1
SCHEMBL1047075 0.86 PTGDR2 (0.43) SLC22A12PTGDR2ENPP2PKMPKLR

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 SLC22A12 3712/4885PTGDR2 3663/4885PTGER4 2999/4885
US-20130123296-A1 LONIDAMINE ANALOGUES FOR FERTILITY MANAGEMENT SHBG, GNRHR, FSHR SLC22A12 1351/4885PTGDR2 828/4885PTGER4 2483/4885
US-20090197911-A1 LONIDAMINE ANALOGUES AND TREATMENT OF POLYCYSTIC KIDNEY DISEASE PKD1, PKD2, RAF1 SLC22A12 1256/4885PTGDR2 1364/4885PTGER4 2890/4885
US-20110060003-A1 LONIDAMINE ANALOGUES FOR FERTILITY MANAGEMENT SHBG, GNRHR, FSHR SLC22A12 1351/4885PTGDR2 828/4885PTGER4 2483/4885

“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.