SCHEMBL1048083

SCHEMBL1048083

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

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 3/20 0.44
SLC22A12 Q96S37 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
TSHR P16473 1/20 0.43
PMP22 Q01453 1/20 0.43
HIF1A Q16665 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
PTGDR2 Q9Y5Y4 5/20 0.42
PTGER1 P34995 1/20 0.42
PKM P14618 1/20 0.41
PKLR P30613 1/20 0.41
KLKB1 P03952 1/20 0.39
GCGR P47871 1/20 0.39
P2RY14 Q15391 3/20 0.38
AKR1B1 P15121 1/20 0.38

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
SCHEMBL1050941 0.89 PTGER4 (0.45) PTGER4SLC22A12CYP1A2CYP3A4CYP2D6
SCHEMBL1051088 0.89 PTGDR2 (0.41) PTGER4SLC22A12PTGDR2PTGER1PKM
SCHEMBL30949028 0.88 CYP1A2 (0.54) PTGER4SLC22A12CYP1A2CYP3A4CYP2D6
SCHEMBL1049264 0.88 CYP1A2 (0.54) PTGER4SLC22A12CYP1A2CYP3A4CYP2D6
SCHEMBL4098478 0.87 CYP1A2 (0.55) PTGER4SLC22A12CYP1A2CYP3A4CYP2D6
SCHEMBL1047310 0.85 MEN1 (0.44) PTGER4SLC22A12CYP1A2CYP3A4CYP2D6
SCHEMBL1048628 0.85 ALOX5AP (0.44) PTGER4CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL1047949 0.84 MEN1 (0.47) CYP1A2CYP3A4CYP2D6CYP2C9TSHR
SCHEMBL1050462 0.83 SLC22A12 (0.42) PTGER4SLC22A12PTGDR2PTGER1PKM
SCHEMBL1050464 0.83 SLC22A12 (0.42) PTGER4SLC22A12PTGDR2PTGER1PKM

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-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
CN-104011027-A Use of lonidamine analogs for fertility regulation UNIV KANSAS 2014-08-27 CN disclosed
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 PTGER4 2999/4885SLC22A12 3712/4885CYP1A2 3302/4885
US-20130123296-A1 LONIDAMINE ANALOGUES FOR FERTILITY MANAGEMENT SHBG, GNRHR, FSHR PTGER4 2483/4885SLC22A12 1351/4885CYP1A2 348/4885
US-20090197911-A1 LONIDAMINE ANALOGUES AND TREATMENT OF POLYCYSTIC KIDNEY DISEASE PKD1, PKD2, RAF1 PTGER4 2890/4885SLC22A12 1256/4885CYP1A2 4345/4885
US-20110060003-A1 LONIDAMINE ANALOGUES FOR FERTILITY MANAGEMENT SHBG, GNRHR, FSHR PTGER4 2483/4885SLC22A12 1351/4885CYP1A2 348/4885

“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.