SCHEMBL16147602

SCHEMBL16147602

O=[N+]([O-])c1cc(CCl)ccc1CO

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.49
ALDH1A1 P00352 3/20 0.49
SNCA P37840 2/20 0.44
CYP1A2 P05177 2/20 0.41
MAPT P10636 2/20 0.41
PDK1 Q15118 1/20 0.41
POLB P06746 2/20 0.40
CYP3A4 P08684 1/20 0.38
HPGD P15428 1/20 0.38
CYP2C19 P33261 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.38
RAB9A P51151 1/20 0.38
KDM4E B2RXH2 1/20 0.37
NPSR1 Q6W5P4 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
SCHEMBL30595359 0.91 TSHR (0.58) TSHRALDH1A1SNCACYP1A2MAPT
SCHEMBL6017659 0.91 TSHR (0.58) TSHRALDH1A1SNCACYP1A2MAPT
SCHEMBL31612277 0.87 ALDH1A1 (0.51) TSHRALDH1A1SNCACYP1A2MAPT
SCHEMBL1589851 0.87 ALDH1A1 (0.51) TSHRALDH1A1SNCACYP1A2MAPT
SCHEMBL9488274 0.83 TSHR (0.53) TSHRALDH1A1SNCACYP1A2MAPT
SCHEMBL13520160 0.79 ALDH1A1 (0.53) TSHRALDH1A1SNCACYP1A2MAPT
SCHEMBL15380345 0.79 TSHR (0.53) TSHRALDH1A1SNCACYP1A2MAPT
SCHEMBL29450341 0.79 CYP1A2 (0.45) ALDH1A1SNCACYP1A2MAPTPDK1
SCHEMBL26458399 0.79 SMN1; SMN2 (0.43) ALDH1A1SNCACYP1A2MAPTPDK1
SCHEMBL67536 0.79 MAPK1 (0.53) TSHRALDH1A1CYP1A2MAPTCYP3A4

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
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
US-9975905-B2 Derivatized 3-styryl-cephalosporins GLADIUS PHARMACEUTICALS CORPORATION (CA) 2018-05-22 US disclosed
US-20160031906-A1 Derivatized 3-Styryl-Cephalosporins SOPHARMIA, INC. 2016-02-04 US disclosed
US-20160031906-A1 Derivatized 3-Styryl-Cephalosporins SOPHARMIA, INC. 2016-02-04 US 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
WO-2014165126-A2 DERIVATIZED 3-STYRYL-CEPHALOSPORINS SOPHARMIA, INC. (US) 2014-10-09 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 (3 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 TSHR 4621/4885ALDH1A1 338/4885SNCA 2282/4885
US-20180319817-A1 Derivatized 3-Styryl-Cephalosporins PEPD, SI, NAALAD2 TSHR 4568/4885ALDH1A1 210/4885SNCA 1989/4885
US-11028103-B2 Derivatized 3-styryl-cephalosporins PEPD, SI, NAALAD2 TSHR 4568/4885ALDH1A1 210/4885SNCA 1989/4885

“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.