SCHEMBL4100903

SCHEMBL4100903

COC(=O)C=Cc1nn(Cc2ccc(F)cc2Cl)c2cc(C(=O)O)ccc12

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 2/20 0.51
SLC22A12 Q96S37 6/20 0.46
TP53 P04637 5/20 0.40
MAPT P10636 2/20 0.40
RORC P51449 1/20 0.40
BUB1 O43683 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CPT1A P50416 1/20 0.38
CPT1B Q92523 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
SCHEMBL4100901 1.00 ENPP2 (0.51) ENPP2SLC22A12TP53MAPTRORC
SCHEMBL1051617 0.91 ENPP2 (0.48) ENPP2SLC22A12RORCCPT1ACPT1B
SCHEMBL1051618 0.91 ENPP2 (0.48) ENPP2SLC22A12RORCCPT1ACPT1B
SCHEMBL4104486 0.91 ENPP2 (0.50) ENPP2SLC22A12TP53BUB1
SCHEMBL1083585 0.91 ENPP2 (0.50) ENPP2SLC22A12TP53BUB1
SCHEMBL1046850 0.90 ENPP2 (0.51) ENPP2TP53MAPTMEN1KMT2A
SCHEMBL1046851 0.90 ENPP2 (0.51) ENPP2TP53MAPTMEN1KMT2A
SCHEMBL1050236 0.90 ENPP2 (0.55) ENPP2SLC22A12TP53RORCMEN1
SCHEMBL1050237 0.90 ENPP2 (0.55) ENPP2SLC22A12TP53RORCMEN1
SCHEMBL1050187 0.89 MAPT (0.45) ENPP2TP53MAPTMEN1KMT2A

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 9 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
US-20110060003-A1 LONIDAMINE ANALOGUES FOR FERTILITY MANAGEMENT UNIVERSITY OF KANSAS 2011-03-10 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

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 3712/4885TP53 3100/4885
US-20130123296-A1 LONIDAMINE ANALOGUES FOR FERTILITY MANAGEMENT SHBG, GNRHR, FSHR ENPP2 1075/4885SLC22A12 1351/4885TP53 4573/4885
US-20090197911-A1 LONIDAMINE ANALOGUES AND TREATMENT OF POLYCYSTIC KIDNEY DISEASE PKD1, PKD2, RAF1 ENPP2 3917/4885SLC22A12 1256/4885TP53 343/4885
US-20110060003-A1 LONIDAMINE ANALOGUES FOR FERTILITY MANAGEMENT SHBG, GNRHR, FSHR ENPP2 1075/4885SLC22A12 1351/4885TP53 4573/4885

“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.