SCHEMBL5037749

SCHEMBL5037749

C=CC(=O)Nc1ccc(C(=O)OC)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 9/20 0.67
MEN1 O00255 4/20 0.61
KMT2A Q03164 4/20 0.61
LMNA P02545 2/20 0.58
F13A1 P00488 1/20 0.58
TGM1 P22735 1/20 0.58
TGM3 Q08188 1/20 0.58
MAPT P10636 3/20 0.57
ALDH1A1 P00352 2/20 0.57
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
MAPK1 P28482 1/20 0.56
HTT P42858 1/20 0.56
KDM4E B2RXH2 1/20 0.56
GAA P10253 1/20 0.54
ATM Q13315 1/20 0.54
POLB P06746 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
PTPN1 P18031 1/20 0.51

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
SCHEMBL31253059 0.95 TGM2 (0.61) TGM2MEN1KMT2ALMNAF13A1
SCHEMBL784330 0.83 TSHR (0.61) TGM2MEN1KMT2AMAPTALDH1A1
SCHEMBL22118553 0.83 TGM2 (0.56) TGM2LMNAF13A1TGM1TGM3
SCHEMBL14407375 0.83 TGM2 (0.55) TGM2MEN1KMT2ALMNAF13A1
SCHEMBL20763476 0.83 TGM2 (0.63) TGM2LMNAF13A1TGM1TGM3
SCHEMBL439369 0.82 TGM2 (0.79) TGM2LMNAF13A1TGM1TGM3
SCHEMBL5031481 0.82 TGM2 (0.50) TGM2MEN1KMT2ALMNAF13A1
SCHEMBL7470743 0.81 TGM2 (0.67) TGM2MEN1KMT2ALMNAF13A1
SCHEMBL12230853 0.81 TGM2 (0.53) TGM2MEN1KMT2ALMNAF13A1
SCHEMBL14407370 0.81 HPGD (0.53) TGM2MEN1KMT2AMAPTALDH1A1

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190293641-A1 ASSAY IMPERIAL COLLEGE INNOVATIONS, LTD. (GB) 2019-09-26 US disclosed
US-20190176459-A1 POSITIVE TYPE PLANOGRAPHIC PRINTING PLATE PRECURSOR AND METHOD OF PRODUCING PLANOGRAPHIC PRINTING PLATE FUJIFILM CORPORATION (JP) 2019-06-13 US disclosed
WO-2018033753-A2 ASSAY IMPERIAL INNOVATIONS LIMITED (GB) 2018-02-22 WO disclosed
US-8304166-B2 Heat sensitive positive-working lithographic printing plate precursor AGFA GRAPHICS NV (BE) 2012-11-06 US disclosed
US-8304166-B2 Heat sensitive positive-working lithographic printing plate precursor AGFA GRAPHICS NV (BE) 2012-11-06 US disclosed
US-20100055610-A1 HEAT SENSITIVE POSITIVE-WORKING LITHOGRAPHIC PRINTING PLATE PRECURSOR AGFA GRAPHICS NV (BE) 2010-03-04 US disclosed
US-20100055610-A1 HEAT SENSITIVE POSITIVE-WORKING LITHOGRAPHIC PRINTING PLATE PRECURSOR AGFA GRAPHICS NV (BE) 2010-03-04 US disclosed
EP-2159049-A1 A heat-sensitive positive-working lithographic printing plate precursor Agfa Graphics N.V. (BE) 2010-03-03 EP disclosed
US-7345082-B2 Phosphinic acids HOFFMANN-LA ROCHE INC. (US) 2008-03-18 US disclosed
EP-1685142-B1 PHOSPHINIC ACID DERIVATIVES, BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE HOFFMANN LA ROCHE (CH) 2008-01-09 EP disclosed
EP-1685142-A1 PHOSPHINIC ACID DERIVATIVES, BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2006-08-02 EP disclosed
WO-2005044830-A1 PHOSPHINIC ACIDS DERIVATIVES, BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER’S DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2005-05-19 WO disclosed
US-20050107341-A1 Phosphinic acids F. HOFFMANN-LA ROCHE AG (CH) 2005-05-19 US disclosed
EP-0409565-A1 Rubber composition useful for tires SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1991-01-23 EP 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-20050107341-A1 Phosphinic acids BACE1, PSEN1, PSEN2 TGM2 1013/4885MEN1 550/4885KMT2A 2196/4885

“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.