SCHEMBL5142045

SCHEMBL5142045

NC(CO)C(O)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.48
TSHR P16473 2/20 0.48
ALDH1A1 P00352 4/20 0.45
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
SLC6A3 Q01959 1/20 0.44
KCNH2 Q12809 1/20 0.44
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CTSD P07339 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
PLAU P00749 1/20 0.39
GRM8 O00222 2/20 0.39
GRM4 Q14833 2/20 0.39
GPR35 Q9HC97 1/20 0.39
HSD17B10 Q99714 1/20 0.38
NPC1 O15118 1/20 0.38
RECQL P46063 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
SCHEMBL3697952 0.84 CYP1A2 (0.59) CYP1A2TSHRALDH1A1CYP3A4CYP2D6
SCHEMBL4074230 0.83 CYP1A2 (0.50) CYP1A2TSHRALDH1A1CYP3A4CYP2D6
SCHEMBL31145677 0.80 CYP1A2 (0.53) CYP1A2TSHRALDH1A1CYP3A4CYP2D6
SCHEMBL267829 0.80 CYP1A2 (0.53) CYP1A2TSHRALDH1A1CYP3A4CYP2D6
SCHEMBL14436535 0.79 CYP1A2 (0.54) CYP1A2TSHRALDH1A1MEN1KMT2A
SCHEMBL12232403 0.79 CYP1A2 (0.54) CYP1A2TSHRALDH1A1MEN1KMT2A
SCHEMBL29834848 0.78 CYP1A2 (0.54) CYP1A2TSHRALDH1A1MEN1KMT2A
SCHEMBL2941917 0.78 CYP1A2 (0.54) CYP1A2TSHRALDH1A1MEN1KMT2A
SCHEMBL21853757 0.77 CYP1A2 (0.58) CYP1A2TSHRALDH1A1CYP3A4CYP2D6
SCHEMBL21853755 0.77 CYP1A2 (0.58) CYP1A2TSHRALDH1A1CYP3A4CYP2D6

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-4973745-A Process for obtaining enantiomers of 2-arylpropionic acids MEDICE CHEM.-PHARM. FABRIK PUTTER GMBH & CO. KG (DE) 1990-11-27 US claimed
US-20070203243-A1 RESOLUTION OF ALPHA-(PHENOXY) PHENYLACETIC ACID DERIVATIVES METABOLEX, INC. (US) 2007-08-30 US disclosed
US-7199259-B2 Resolution of α-(phenoxy)phenylacetic acid derivatives METABOLEX, INC. (US) 2007-04-03 US disclosed
EP-1635809-A4 RESOLUTION OF ALPHA-(PHENOXY)PHENYLACETIC ACID DERIVATIVES METABOLEX INC (US) 2006-09-27 EP disclosed
EP-1635809-A1 RESOLUTION OF ALPHA-(PHENOXY)PHENYLACETIC ACID DERIVATIVES Metabolex, Inc. (US) 2006-03-22 EP disclosed
US-20050033084-A1 Resolution of alpha-(phenoxy)phenylacetic acid derivatives METABOLEX, INC. (US) 2005-02-10 US disclosed
WO-2004112774-A1 RESOLUTION OF α-(PHENOXY)PHENYLACETIC ACID DERIVATIVES METABOLEX, INC. (US) 2004-12-29 WO disclosed
EP-0910573-A1 NEW AMINO ACID DERIVATIVES AND THEIR USE AS THROMBIN INHIBITORS Astra Aktiebolag (SE) 1999-04-28 EP disclosed
WO-1997046577-A1 NEW AMINO ACID DERIVATIVES AND THEIR USE AS THROMBIN INHIBITORS ASTRA AKTIEBOLAG (SE) 1997-12-11 WO disclosed
US-4126617-A PROPHYLAXIS THE UPJOHN COMPANY (US) 1978-11-21 US disclosed
US-3959289-A PROPHYLACTICS IN ALLERGIES THE UPJOHN COMPANY (US) 1976-05-25 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 (2 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-20070203243-A1 RESOLUTION OF ALPHA-(PHENOXY) PHENYLACETIC ACID DERIVATIVES PAH, HPD, IDUA CYP1A2 348/4885TSHR 2030/4885ALDH1A1 118/4885
US-20050033084-A1 Resolution of alpha-(phenoxy)phenylacetic acid derivatives PAH, PDGFA, PDGFRA CYP1A2 84/4885TSHR 833/4885ALDH1A1 64/4885

“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.