SCHEMBL5853166

SCHEMBL5853166

Cc1cccc(NC(=O)OCc2ccccc2)c1

nearest known ligand 0.72

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 3/20 0.72
ENPP2 Q13822 3/20 0.64
MAPT P10636 3/20 0.63
MEN1 O00255 2/20 0.63
KMT2A Q03164 2/20 0.63
LMNA P02545 2/20 0.63
SMN1; SMN2 Q16637 2/20 0.63
HTT P42858 1/20 0.63
RAB9A P51151 4/20 0.62
NPC1 O15118 3/20 0.62
POLB P06746 2/20 0.58
ALDH1A1 P00352 3/20 0.57
TP53 P04637 3/20 0.57
MAPK1 P28482 1/20 0.57
HSD17B10 Q99714 1/20 0.57
TSHR P16473 1/20 0.56
ATM Q13315 1/20 0.56
GAA P10253 1/20 0.56

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
SCHEMBL10076576 0.91 MEN1 (0.70) MGLLENPP2MAPTMEN1KMT2A
SCHEMBL17927947 0.85 MGLL (0.72) MGLLENPP2MAPTLMNASMN1; SMN2
SCHEMBL15648038 0.85 MGLL (0.72) MGLLENPP2MAPTLMNASMN1; SMN2
SCHEMBL12994782 0.85 MGLL (0.53) MGLLENPP2MAPTMEN1KMT2A
SCHEMBL8984657 0.85 MGLL (0.76) MGLLENPP2MAPTSMN1; SMN2RAB9A
Benzyl Phenylcarbamate SCHEMBL1222943 0.84 POLB (0.78) MGLLENPP2MAPTLMNASMN1; SMN2
SCHEMBL4057992 0.84 MGLL (0.70) MGLLENPP2MEN1KMT2ALMNA
SCHEMBL27498433 0.84 MGLL (0.74) MGLLENPP2MAPTSMN1; SMN2RAB9A
SCHEMBL5852207 0.83 POLB (0.68) MGLLMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL8737821 0.83 MGLL (0.61) MGLLENPP2MAPTLMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6630512-B2 Antiinflammatory agents; autoimmune disease BIOGEN, INC. 2003-10-07 US claimed
US-6624152-B2 Inhibition and prevention of cell adhesion and cell adhesion-mediated pathologies. This invention relates to pharmaceutical formulations comprising these compounds and methods of using them for inflammatory and autoimmune diseases BIOGEN, INC. 2003-09-23 US claimed
US-20030083267-A1 Cell adhesion inhibitors BIOGEN, INC., A MASSACHUSETTS CORPORATION 2003-05-01 US claimed
US-20030018016-A1 Cell adhesion inhibitors BIOGEN IDEC MA, INC. 2003-01-23 US claimed
EP-0805796-B1 CELL ADHESION INHIBITORS BIOGEN INC (US) 2002-12-11 EP claimed
US-6376538-B1 ANTIINFLAMMATORY AGENTS; AUTOIMMUNE DISEASES BIOGEN, INC. 2002-04-23 US claimed
US-6306840-B1 ANTISTICKING AGENTS OF OLIGOPEPTIDES BIOGEN, INC. 2001-10-23 US claimed
EP-0805796-A1 CELL ADHESION INHIBITORS BIOGEN, INC. (US) 1997-11-12 EP claimed
WO-1996022966-A1 CELL ADHESION INHIBITORS BIOGEN, INC. (US) 1996-08-01 WO claimed
CN-109311813-B Palladium-catalyzed meta-C-H functionalized universal ligands 斯克利普斯研究院 2023-02-28 CN disclosed
US-9611230-B2 1,3,4-oxadiazole benzoic acid compounds and their use for nonsense suppression and the treatment of disease PTC THERAPEUTICS, INC. (US) 2017-04-04 US disclosed
EP-3067053-A1 COMPOUNDS FOR NONSENSE SUPPRESSION, AND METHODS FOR THEIR USE PTC Therapeutics, Inc. (US) 2016-09-14 EP disclosed
US-9394261-B2 Aryl amine substituted pyrimidine and quinazoline and their use as anticancer drugs NATIONAL YANG-MING UNIVERSITY (TW) 2016-07-19 US disclosed
EP-2939674-A1 COMPOUNDS FOR NONSENSE SUPPRESSION, AND METHODS FOR THEIR USE PTC Therapeutics, Inc. (US) 2015-11-04 EP disclosed
EP-0805796-B1 CELL ADHESION INHIBITORS BIOGEN INC (US) 2002-12-11 EP disclosed
US-6376538-B1 ANTIINFLAMMATORY AGENTS; AUTOIMMUNE DISEASES BIOGEN, INC. 2002-04-23 US disclosed
US-6306840-B1 ANTISTICKING AGENTS OF OLIGOPEPTIDES BIOGEN, INC. 2001-10-23 US disclosed
EP-1142867-A2 Cell adhesion inhibitors BIOGEN, INC. (US) 2001-10-10 EP disclosed
EP-0805796-A1 CELL ADHESION INHIBITORS BIOGEN, INC. (US) 1997-11-12 EP disclosed
WO-1996022966-A1 CELL ADHESION INHIBITORS BIOGEN, INC. (US) 1996-08-01 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 (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-20030083267-A1 Cell adhesion inhibitors ICAM1, VCAM1, EPCAM MGLL 3381/4885ENPP2 38/4885MAPT 2771/4885
US-20030018016-A1 Cell adhesion inhibitors ICAM1, VCAM1, EPCAM MGLL 3381/4885ENPP2 38/4885MAPT 2771/4885

“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.