SCHEMBL1049949

SCHEMBL1049949

COC(=O)c1nn(Cc2ccc(F)cc2C)c2cc(OC(F)(F)F)ccc12

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.40
PTGER4 P35408 1/20 0.39
F2RL3 Q96RI0 2/20 0.39
KCNK3 O14649 1/20 0.38
SLC2A1 P11166 2/20 0.38
SLC2A3 P11169 2/20 0.38
SLC2A4 P14672 2/20 0.38
RORC P51449 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ALOX5AP P20292 2/20 0.37
GPR139 Q6DWJ6 2/20 0.36
CFD P00746 1/20 0.36
PPARG P37231 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
P2RX7 Q99572 1/20 0.36

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
SCHEMBL1046203 0.91 MEN1 (0.44) ELANEPTGER4F2RL3KCNK3SLC2A1
SCHEMBL1050837 0.91 F2RL3 (0.47) ELANEPTGER4F2RL3KCNK3RORC
SCHEMBL1049291 0.89 MAPT (0.46) PTGER4F2RL3P2RX7
SCHEMBL1050228 0.89 MCL1 (0.43) ELANEPTGER4PPARG
SCHEMBL1051020 0.87 MEN1 (0.38) PTGER4KCNK3SLC2A1SLC2A3SLC2A4
SCHEMBL4108210 0.86 ELANE (0.42) ELANEPTGER4F2RL3KCNK3RORC
SCHEMBL1048930 0.83 CYP2C9 (0.41) ELANEPTGER4F2RL3KCNK3RORC
SCHEMBL1049779 0.83 ELANE (0.42) ELANEPTGER4F2RL3ALOX5APPPARG
SCHEMBL1047006 0.82 CYP1A2 (0.52) PTGER4F2RL3PPARG
SCHEMBL1046780 0.82 PPARG (0.44) ELANEF2RL3KCNK3MEN1KMT2A

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 ELANE 732/4885PTGER4 2999/4885F2RL3 3850/4885
US-20130123296-A1 LONIDAMINE ANALOGUES FOR FERTILITY MANAGEMENT SHBG, GNRHR, FSHR ELANE 1749/4885PTGER4 2483/4885F2RL3 1467/4885
US-20090197911-A1 LONIDAMINE ANALOGUES AND TREATMENT OF POLYCYSTIC KIDNEY DISEASE PKD1, PKD2, RAF1 ELANE 2090/4885PTGER4 2890/4885F2RL3 2091/4885
US-20110060003-A1 LONIDAMINE ANALOGUES FOR FERTILITY MANAGEMENT SHBG, GNRHR, FSHR ELANE 1749/4885PTGER4 2483/4885F2RL3 1467/4885

“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.