SCHEMBL16147688

SCHEMBL16147688

Cc1c(CCl)ccc(C(=O)O)c1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.45
ALDH1A1 P00352 5/20 0.39
TDP1 Q9NUW8 3/20 0.38
CYP3A4 P08684 2/20 0.38
ALOX15 P16050 1/20 0.38
PKM P14618 1/20 0.38
CYP1A2 P05177 2/20 0.36
CYP2D6 P10635 2/20 0.36
CYP2C19 P33261 2/20 0.36
TP53 P04637 1/20 0.36
HTT P42858 1/20 0.36
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.36
PLA2G1B P04054 1/20 0.36
KMT2A Q03164 1/20 0.36
ATG4B Q9Y4P1 1/20 0.36
RXRA P19793 1/20 0.36
CYP2C9 P11712 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CDK2 P24941 1/20 0.35

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
SCHEMBL20594425 0.87 TSHR (0.47) TSHRALDH1A1TDP1CYP3A4ALOX15
SCHEMBL5914183 0.85 TSHR (0.46) TSHRALDH1A1TDP1CYP3A4ALOX15
SCHEMBL20594414 0.84 TSHR (0.45) TSHRALDH1A1TDP1CYP3A4ALOX15
SCHEMBL3478112 0.81 TSHR (0.59) TSHRALDH1A1TDP1CYP3A4ALOX15
SCHEMBL8671212 0.81 TSHR (0.59) TSHRALDH1A1TDP1CYP3A4ALOX15
SCHEMBL3127548 0.80 TP53 (0.37) TSHRALDH1A1TDP1CYP3A4ALOX15
SCHEMBL5205707 0.80 ALDH1A1 (0.48) TSHRALDH1A1TDP1CYP3A4CYP1A2
SCHEMBL28693202 0.79 CYP1A2 (0.39) TSHRALDH1A1ALOX15CYP1A2
SCHEMBL21932523 0.79 TSHR (0.50) TSHRALDH1A1TDP1CYP3A4ALOX15
SCHEMBL27703675 0.78 TSHR (0.49) TSHRALDH1A1TDP1CYP3A4ALOX15

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 8 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-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 338/4885TDP1 2302/4885
US-20180319817-A1 Derivatized 3-Styryl-Cephalosporins PEPD, SI, NAALAD2 TSHR 4568/4885ALDH1A1 210/4885TDP1 2757/4885
US-11028103-B2 Derivatized 3-styryl-cephalosporins PEPD, SI, NAALAD2 TSHR 4568/4885ALDH1A1 210/4885TDP1 2757/4885

“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.