SCHEMBL698988

SCHEMBL698988

O=CN(CC(=O)O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
GLA P06280 1/20 0.45
TSHR P16473 1/20 0.45
NPSR1 Q6W5P4 2/20 0.43
KMT2A Q03164 3/20 0.41
NPC1 O15118 1/20 0.41
POLB P06746 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
TP53 P04637 1/20 0.40
AKR1B1 P15121 1/20 0.38
MEN1 O00255 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PAM P19021 1/20 0.37
TRPM8 Q7Z2W7 1/20 0.37

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
SCHEMBL27447186 0.85 CYP1A2 (0.43) ALDH1A1TSHRKMT2AMEN1TDP1
SCHEMBL7668430 0.84 ALDH1A1 (0.42) ALDH1A1GLATSHRNPSR1KMT2A
SCHEMBL22468266 0.84 SMN1; SMN2 (0.57) ALDH1A1NPC1POLBRAB9ASMN1; SMN2
SCHEMBL6904231 0.83 CA2 (0.42) ALDH1A1KMT2AAKR1B1CYP3A4
SCHEMBL2775697 0.82 PTGDR2 (0.39)
Lithium Ion SCHEMBL11854850 0.82 ALDH1A1 (0.41) ALDH1A1GLATSHRNPSR1KMT2A
SCHEMBL11848042 0.82 ALDH1A1 (0.41) ALDH1A1GLATSHRNPSR1KMT2A
SCHEMBL6901530 0.81 ALDH1A1 (0.49) ALDH1A1TSHRKMT2AMEN1TDP1
Dinitrophenylene SCHEMBL27891496 0.81 TRPM8 (0.51) ALDH1A1TSHRKMT2AHTTTP53
SCHEMBL6901533 0.79 ALDH1A1 (0.43) ALDH1A1GLATSHRKMT2APOLB

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 66 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6824786-B2 TOPICAL APPLYING COSMETIC YU RUEY J (US) 2004-11-30 US claimed
EP-1455734-A1 COMPOSITIONS COMPRISING PHENYL-GLYCINE DERIVATIVES Yu, Ruey J., Dr. (US) 2004-09-15 EP claimed
US-20030108496-A1 Compositions comprising phenyl-glycine derivatives YU RUEY J (US) 2003-06-12 US claimed
WO-2003045338-A1 COMPOSITIONS COMPRISING PHENYL-GLYCINE DERIVATIVES YU RUEY J (US) 2003-06-05 WO claimed
EP-0639195-B1 2-ACYLOXYCEPHEM DERIVATIVES AS ELASTASE INHIBITORS PHARMACIA & UPJOHN SPA (IT) 1999-05-26 EP claimed
US-5587373-A ELASTASE INHIBITORS FARMITALIA CARLO ERBA S.R.L. (IT) 1996-12-24 US claimed
EP-0639195-A1 2-ACYLOXYCEPHEM DERIVATIVES AS ELASTASE INHIBITORS PHARMACIA & UPJOHN S.p.A. (IT) 1995-02-22 EP claimed
WO-1994020504-A1 2-ACYLOXYCEPHEM DERIVATIVES AS ELASTASE INHIBITORS FARMITALIA CARLO ERBA S.R.L. (IT) 1994-09-15 WO claimed
JP-6107604-A None JP disclosed
JP-6107602-A None JP disclosed
JP-6107603-A None JP disclosed
JP-4108766-A None JP disclosed
CN-109890829-A Pyrazolo [1,5a ] pyrimidine derivatives as IRAK4 modulators 豪夫迈·罗氏有限公司 2019-06-14 CN disclosed
CN-108473498-A Pyrazolo [1,5a] pyrimidine derivatives as IRAK4 conditioning agents 豪夫迈·罗氏有限公司 2018-08-31 CN disclosed
EP-0312723-A2 Method of and bait compositions for controlling mollusks AMERICAN CYANAMID COMPANY (US) 1989-04-26 EP disclosed
US-4772314-A PHENYLGLYCINES, MONOMERIC TEIJIN LIMITED (JP) 1988-09-20 US disclosed
EP-0254064-A1 2-(Aminoalkylthio)methyl-1,4-dihydropyridine, a method for the preparation thereof and pharmaceutical compositions containing them BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) 1988-01-27 EP disclosed
WO-1988000187-A1 2-(AMINOALKYLTHIO)METHYL-1,4-DIHYDROPYRIDINE, A METHOD FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM BOEHRINGER BIOCHEMIA ROBIN S.P.A. (IT) 1988-01-14 WO disclosed
EP-0194679-A2 Plant growth promoter and method of plant growth promotion TEIJIN LIMITED (JP) 1986-09-17 EP disclosed
US-3988326-A Process for N-acylation of 7 amino cephem compounds MEIJI SEIKA KAISHA, LTD. (JA) 1976-10-26 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 (1 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-20030108496-A1 Compositions comprising phenyl-glycine derivatives GRHPR, ARL1, SUCLG1 ALDH1A1 1110/4885GLA 61/4885TSHR 3740/4885

“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.