SCHEMBL2299148

SCHEMBL2299148

Cc1cc(C(=O)O)c([N+](=O)[O-])c(C)c1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.50
TSHR P16473 3/20 0.44
TDP1 Q9NUW8 3/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ALDH1A1 P00352 6/20 0.38
CYP3A4 P08684 2/20 0.38
ACHE P22303 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
MAPT P10636 1/20 0.37
LMNA P02545 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
ALOX15 P16050 1/20 0.37
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MAPK1 P28482 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
SCHEMBL561310 1.00 PKM (0.50) PKMTSHRTDP1L3MBTL1ALDH1A1
SCHEMBL1403473 0.86 TSHR (0.44) PKMTSHRTDP1L3MBTL1ALDH1A1
SCHEMBL2424155 0.86 TDP1 (0.44) PKMTSHRTDP1L3MBTL1ALDH1A1
SCHEMBL10381810 0.86 TSHR (0.44) PKMTSHRTDP1L3MBTL1ALDH1A1
SCHEMBL4663909 0.86 TDP1 (0.46) PKMTSHRTDP1L3MBTL1ALDH1A1
SCHEMBL11225271 0.84 MAPT (0.44) PKMTDP1ALDH1A1CYP3A4MAPT
SCHEMBL29112021 0.83 PKM (0.46) PKMTSHRTDP1ALDH1A1CYP1A2
SCHEMBL5275541 0.83 TSHR (0.44) PKMTSHRTDP1L3MBTL1ALDH1A1
SCHEMBL4536570 0.83 TSHR (0.44) PKMTSHRTDP1L3MBTL1ALDH1A1
SCHEMBL2259930 0.79 TSHR (0.46) PKMTSHRTDP1L3MBTL1ALDH1A1

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-5194519-A Benzobisimidazoles or benzothiazoles in polyether ketone or ether ether ketone polymers THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) 1993-03-16 US claimed
US-11028103-B2 Derivatized 3-styryl-cephalosporins GLADIUS PHARMACEUTICALS CORPORATION (CA) 2021-06-08 US disclosed
EP-3441071-A1 DERIVATIZED CEPHALOSPORINS Gladius Pharmaceuticals Corporation (CA) 2019-02-13 EP disclosed
US-20180319817-A1 Derivatized 3-Styryl-Cephalosporins GLADIUS PHARMACEUTICALS CORPORATION (CA) 2018-11-08 US disclosed
EP-2968352-B1 DERIVATIZED 3-STYRYL-CEPHALOSPORINS GLADIUS PHARMACEUTICALS CORP (CA) 2018-09-26 EP disclosed
US-9975905-B2 Derivatized 3-styryl-cephalosporins GLADIUS PHARMACEUTICALS CORPORATION (CA) 2018-05-22 US disclosed
EP-2536276-B1 NOVEL BEXAROTENE ANALOGS UNIV ARIZONA (US) 2016-11-23 EP disclosed
US-20160031906-A1 Derivatized 3-Styryl-Cephalosporins SOPHARMIA, INC. 2016-02-04 US disclosed
EP-2968352-A2 DERIVATIZED 3-STYRYL-CEPHALOSPORINS Gladius Pharmaceuticals Corporation (CA) 2016-01-20 EP disclosed
US-9174917-B2 Bexarotene analogs ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2015-11-03 US disclosed
WO-2014165126-A2 DERIVATIZED 3-STYRYL-CEPHALOSPORINS SOPHARMIA, INC. (US) 2014-10-09 WO disclosed
EP-2536276-A1 NOVEL BEXAROTENE ANALOGS The Arizona Board Of Regents, A Body Corporate Of The State Of Arizona Acting For And On Behalf Of Arizona State University (US) 2012-12-26 EP disclosed
US-20120309833-A1 NOVEL BEXAROTENE ANALOGS ARIZONA BOARD OF REGENTS, A BODY CORPORATE OF THE STATE OF ARIZONA ACTING FOR AND ON BEHALF OF ARIZONA STATE UNIVERSITY 2012-12-06 US disclosed
WO-2011103321-A1 NOVEL BEXAROTENE ANALOGS ARIZONA BOARD OF REGENTS, A BODY CORPORATE OF THE STATE OF ARIZONA, ACTING FOR AND ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2011-08-25 WO disclosed
US-5194519-A Benzobisimidazoles or benzothiazoles in polyether ketone or ether ether ketone polymers THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) 1993-03-16 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-20160031906-A1 Derivatized 3-Styryl-Cephalosporins SI, ENGASE, CMBL PKM 3257/4885TSHR 4621/4885TDP1 2302/4885
US-20180319817-A1 Derivatized 3-Styryl-Cephalosporins PEPD, SI, NAALAD2 PKM 3165/4885TSHR 4568/4885TDP1 2757/4885
US-11028103-B2 Derivatized 3-styryl-cephalosporins PEPD, SI, NAALAD2 PKM 3165/4885TSHR 4568/4885TDP1 2757/4885
US-20120309833-A1 NOVEL BEXAROTENE ANALOGS TBXA2R, ENPP2, CXCL8 PKM 4567/4885TSHR 1215/4885TDP1 3993/4885

“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.