SCHEMBL997304

SCHEMBL997304

CCOC(=O)C(C(=O)O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
MAPT P10636 3/20 0.49
HPD P32754 1/20 0.47
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
PKM P14618 2/20 0.45
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 1/20 0.44
LMNA P02545 1/20 0.43
MITF O75030 1/20 0.43
HPGD P15428 1/20 0.43
MC4R P32245 1/20 0.43
KDM4E B2RXH2 1/20 0.42
MAPK1 P28482 2/20 0.42
GAA P10253 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
THRB P10828 1/20 0.41

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
SCHEMBL6072863 0.94 HPD (0.50) ALDH1A1MAPTHPDMEN1KMT2A
SCHEMBL6487862 0.86 ALDH1A1 (0.55) ALDH1A1MAPTHPDMEN1KMT2A
SCHEMBL6487852 0.86 ALDH1A1 (0.55) ALDH1A1MAPTHPDMEN1KMT2A
SCHEMBL6072903 0.84 HPD (0.47) ALDH1A1MAPTHPDMEN1KMT2A
SCHEMBL3363361 0.84 MAPT (0.50) ALDH1A1MAPTMEN1KMT2APKM
SCHEMBL997302 0.84 ALDH1A1 (0.59) ALDH1A1MAPTHPDMEN1KMT2A
SCHEMBL8492650 0.81 ALDH1A1 (0.58) ALDH1A1MAPTHPDMEN1KMT2A
SCHEMBL8492645 0.81 ALDH1A1 (0.58) ALDH1A1MAPTHPDMEN1KMT2A
SCHEMBL5205743 0.81 PKM (0.45) ALDH1A1MAPTMEN1KMT2APKM
SCHEMBL395222 0.81 PKM (0.45) ALDH1A1MAPTMEN1KMT2APKM

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-2502624-A1 Lonidamine analogues and their use in male contraception and cancer treatment THE UNIVERSITY OF KANSAS (US) 2012-09-26 EP 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-20100063301-A1 SYNTHESIS OF THROMBOPOIETIN ACTIVITY MODULATING COMPOUNDS LIGAND PHARMACEUTICALS INC (US) 2010-03-11 US 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
US-7514463-B2 Lonidamine analogues and their use in male contraception and cancer treatment UNIVERSITY OF KANSAS (US) 2009-04-07 US disclosed
EP-2001845-A2 SYNTHESIS OF THROMBOPOIETIN ACTIVITY MODULATING COMPOUNDS LIGAND PHARMACEUTICALS, INC. (US) 2008-12-17 EP disclosed
WO-2007106564-A2 SYNTHESIS OF THROMBOPOIETIN ACTIVITY MODULATING COMPOUNDS LIGAND PHARMACEUTICALS INC. (US) 2007-09-20 WO disclosed
EP-1786424-A2 LONIDAMINE ANALOGUES AND THEIR USE IN MALE CONTRACEPTION AND CANCER TREATMENT The University of Kansas (US) 2007-05-23 EP disclosed
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 disclosed
WO-2006023704-A2 LONIDAMINE ANALOGUES AND THEIR USE IN MALE CONTRACEPTION AND CANCER TREATMENT UNIVERSITY OF KANSAS (US) 2006-03-02 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 (5 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-20100063301-A1 SYNTHESIS OF THROMBOPOIETIN ACTIVITY MODULATING COMPOUNDS MPL, THPO, TBXAS1 ALDH1A1 3289/4885MAPT 4801/4885HPD 3678/4885
US-20060047126-A1 Lonidamine analogues and their use in male contraception and cancer treatment TRAP1, HSPE1, HSF1 ALDH1A1 1663/4885MAPT 3368/4885HPD 4461/4885
US-20130123296-A1 LONIDAMINE ANALOGUES FOR FERTILITY MANAGEMENT SHBG, GNRHR, FSHR ALDH1A1 983/4885MAPT 4627/4885HPD 1916/4885
US-20090197911-A1 LONIDAMINE ANALOGUES AND TREATMENT OF POLYCYSTIC KIDNEY DISEASE PKD1, PKD2, RAF1 ALDH1A1 2184/4885MAPT 4829/4885HPD 3903/4885
US-20110060003-A1 LONIDAMINE ANALOGUES FOR FERTILITY MANAGEMENT SHBG, GNRHR, FSHR ALDH1A1 983/4885MAPT 4627/4885HPD 1916/4885

“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.