SCHEMBL1919932

SCHEMBL1919932

Nc1ccc(CNC([O])=O)cc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.53
EPHX1 P07099 1/20 0.51
PPID Q08752 4/20 0.50
PPIB P23284 2/20 0.50
PPIA P62937 1/20 0.50
PPIG Q13427 1/20 0.50
TPSAB1 Q15661 3/20 0.48
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
TSHR P16473 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
ITGB1 P05556 1/20 0.44
ITGA5 P08648 1/20 0.44
ANPEP P15144 1/20 0.43
ERAP2 Q6P179 1/20 0.43
GFER P55789 1/20 0.42

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
SCHEMBL15939528 0.84 PPID (0.65) EPHX2EPHX1PPIDPPIBPPIA
SCHEMBL258716 0.84 CYP2C9 (0.62) EPHX2EPHX1PPIDPPIBPPIA
SCHEMBL8245710 0.83 CYP2C9 (0.68) EPHX2EPHX1PPIDPPIBPPIA
Hydrochloric Acid SCHEMBL7441659 0.83 CYP2C9 (0.60) EPHX2EPHX1PPIDPPIBPPIA
SCHEMBL1800569 0.81 KMT2A (0.63) EPHX2EPHX1PPIDPPIBPPIA
SCHEMBL13342380 0.81 EPHX2 (0.51) EPHX2EPHX1PPIDPPIBPPIA
SCHEMBL12643752 0.81 EPHX1 (0.58) EPHX2EPHX1PPIDPPIBPPIA
SCHEMBL22060071 0.80 ERCC1 (0.60) EPHX2EPHX1PPIDPPIBPPIA
SCHEMBL8573694 0.80 EPHX2 (0.47) EPHX2EPHX1PPIDPPIBPPIA
SCHEMBL21781874 0.79 CA1 (0.64) EPHX2EPHX1PPIDPPIBPPIA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210023094-A1 PSMA ANTIBODY-DRUG CONJUGATES PSMA DEVELOPMENT COMPANY, LLC (US) 2021-01-28 US claimed
EP-2727606-A2 Compounds for killing psma-expressing, taxane-resistant cancer cells Psma Development Company, L.L.C. (US) 2014-05-07 EP claimed
EP-1912677-B1 PSMA antibody-drug conjugates PSMA DEV COMPANY L L C (US) 2013-10-02 EP claimed
EP-2326350-B1 COMPOUNDS FOR KILLING PSMA-EXPRESSING, TAXANE-RESISTANT CANCER CELLS PSMA DEV COMPANY L L C (US) 2013-09-04 EP claimed
EP-2326350-A2 METHODS FOR KILLING PSMA-EXPRESSING, TAXANE-RESISTANT CANCER CELLS Psma Development Company, L.L.C. (US) 2011-06-01 EP claimed
WO-2010027513-A2 METHODS FOR KILLING PSMA-EXPRESSING, TAXANE-RESISTANT CANCER CELLS PSMA DEVELOPMENT COMPANY, LLC (US) 2010-03-11 WO claimed
US-6214345-B1 ANTITUMOR AGENTS; DRUG CONJUGATES WHICH ARE SELECTIVELY ACTIVATIBLE AT THE SITE OF THE TUMOR BRISTOL-MYERS SQUIBB CO. 2001-04-10 US claimed
EP-3827844-A1 COMBINATION THERAPIES WITH PSMA LIGAND CONJUGATES Psma Development Company, L.L.C. (US) 2021-06-02 EP disclosed
US-20210023094-A1 PSMA ANTIBODY-DRUG CONJUGATES PSMA DEVELOPMENT COMPANY, LLC (US) 2021-01-28 US disclosed
EP-3057614-B1 COMBINATION THERAPIES WITH PSMA LIGAND CONJUGATES PSMA DEV COMPANY L L C (US) 2020-09-30 EP disclosed
US-9242012-B2 Methods for killing PSMA-expressing, taxane-resistant cancer cells PSMA DEVELOPMENT COMPANY, LLC (US) 2016-01-26 US disclosed
US-20150110814-A1 COMBINATION THERAPIES WITH PSMA LIGAND CONJUGATES PSMA DEVELOPMENT COMPANY, LLC (US) 2015-04-23 US disclosed
EP-2727606-A2 Compounds for killing psma-expressing, taxane-resistant cancer cells Psma Development Company, L.L.C. (US) 2014-05-07 EP disclosed
EP-1912677-B1 PSMA antibody-drug conjugates PSMA DEV COMPANY L L C (US) 2013-10-02 EP disclosed
EP-2326350-B1 COMPOUNDS FOR KILLING PSMA-EXPRESSING, TAXANE-RESISTANT CANCER CELLS PSMA DEV COMPANY L L C (US) 2013-09-04 EP disclosed
US-20110250216-A1 METHODS FOR KILLING PSMA-EXPRESSING, TAXANE-RESISTANT CANCER CELLS PSMA DEVELOPMENT COMPANY, LLC (US) 2011-10-13 US disclosed
EP-2326350-A2 METHODS FOR KILLING PSMA-EXPRESSING, TAXANE-RESISTANT CANCER CELLS Psma Development Company, L.L.C. (US) 2011-06-01 EP disclosed
WO-2010027513-A2 METHODS FOR KILLING PSMA-EXPRESSING, TAXANE-RESISTANT CANCER CELLS PSMA DEVELOPMENT COMPANY, LLC (US) 2010-03-11 WO disclosed
US-20070160617-A1 PSMA antibody-drug conjugates PSMA DEVELOPMENT COMPANY, LLC (US) 2007-07-12 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-20150110814-A1 COMBINATION THERAPIES WITH PSMA LIGAND CONJUGATES CD47, CD4, PSMA1 EPHX2 2283/4885EPHX1 1753/4885PPID 3023/4885
US-20210023094-A1 PSMA ANTIBODY-DRUG CONJUGATES FOLH1, PSMA3, PSMA2 EPHX2 517/4885EPHX1 2265/4885PPID 3347/4885
US-20110250216-A1 METHODS FOR KILLING PSMA-EXPRESSING, TAXANE-RESISTANT CANCER CELLS FOLH1, DNPEP, KLK3 EPHX2 2534/4885EPHX1 2788/4885PPID 3023/4885
US-20070160617-A1 PSMA antibody-drug conjugates FOLH1, PSMA3, PSMA2 EPHX2 517/4885EPHX1 2265/4885PPID 3347/4885

“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.