Sugi Predict

Sugi Predict / Compounds / SCHEMBL95445

SCHEMBL95445

SCHEMBL95445

[CH2]c1ccc(NC(=O)OC)cc1

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 6/20 0.67
▸ HPGD P15428 2/20 0.56
▸ MAPT P10636 2/20 0.56
▸ RAB9A P51151 4/20 0.49
▸ NPC1 O15118 3/20 0.49
▸ LMNA P02545 2/20 0.49
▸ GAA P10253 2/20 0.49
▸ POLB P06746 1/20 0.49
▸ GFER P55789 1/20 0.49
▸ CYP1A2 P05177 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ ALDH1A1 P00352 2/20 0.45
▸ TSHR P16473 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ PKM P14618 1/20 0.43
▸ TGM2 P21980 1/20 0.43

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
SCHEMBL9609808 0.89 SMN1; SMN2 (0.82) SMN1; SMN2HPGDMAPTRAB9ANPC1
SCHEMBL7251623 0.82 SMN1; SMN2 (0.72) SMN1; SMN2HPGDMAPTRAB9ANPC1
SCHEMBL2188393 0.80 SMN1; SMN2 (0.67) SMN1; SMN2HPGDMAPTRAB9ANPC1
SCHEMBL5538895 0.80 RAB9A (0.61) SMN1; SMN2HPGDMAPTRAB9ANPC1
SCHEMBL1922120 0.80 CYP17A1 (0.52) SMN1; SMN2
SCHEMBL514571 0.80 SMN1; SMN2 (0.69) SMN1; SMN2HPGDMAPTRAB9ANPC1
SCHEMBL17518815 0.80 SMN1; SMN2 (0.69) SMN1; SMN2HPGDMAPTRAB9ANPC1
SCHEMBL9089994 0.80 SMN1; SMN2 (0.69) SMN1; SMN2HPGDMAPTRAB9ANPC1
SCHEMBL18814226 0.80 SMN1; SMN2 (1.00) SMN1; SMN2HPGDMAPTRAB9ANPC1
SCHEMBL94538 0.80 SMN1; SMN2 (0.71) SMN1; SMN2HPGDMAPTRAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040006093-A1 Compounds which inhibit leukocyte adhesion mediated by VLA-4 BIOGEN IDEC INTERNATIONAL HOLDING LTD. (BM) 2004-01-08 — — US claimed
US-6583139-B1 Treatment of inflammatory diseases; inflammatory brain diseases such as multiple sclerosis; N-(Toluene-4-sulfonyl)-L-prolyl-4-(alpha -methylbenzyloxy)-L-phenylalanine; Very Late Antigen 4 BIOGEN IDEC INTERNATIONAL HOLDING LTD. (BM) 2003-06-24 — — US claimed
EP-0994896-A1 SULFONYLATED DIPEPTIDE COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 Elan Pharmaceuticals, Inc. (US) 2000-04-26 — — EP claimed
WO-1999006437-A1 SULFONYLATED DIPEPTIDE COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 ELAN PHARMACEUTICALS INC. (US) 1999-02-11 — — WO claimed
US-20180244699-A1 1-HYDROXY-3H-2,1-BENZOXABOROLE DERIVATIVES AND THEIR USE AS MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2018-08-30 — — US disclosed
EP-3337809-A1 1-HYDROXY-3H-2,1-BENZOXABOROLE DERIVATIVES AND THEIR USE AS MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2018-06-27 — — EP disclosed
WO-2017029289-A1 1-HYDROXY-3H-2,1-BENZOXABOROLE DERIVATIVES AND THEIR USE AS MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2017-02-23 — — WO disclosed
CN-102532162-B 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMA CO LTD 2015-05-27 — — CN disclosed
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 — — EP disclosed
US-8362252-B2 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-01-29 — — US disclosed
EP-1555267-B1 2,3-DIHYDRO-6-NITROIMIDAZO[2,1-b]OXAZOLES OTSUKA PHARMA CO LTD (JP) 2013-01-16 — — EP disclosed
EP-1797082-B1 CARBOSTYRIL COMPOUND OTSUKA PHARMA CO LTD (JP) 2012-08-29 — — EP disclosed
CN-1142493-A Arylalkylpyridzinones MERCK PATENT GMBH (DE) 1997-02-12 — — CN disclosed
EP-0738715-A2 Arylalkyl-pyridazinones MERCK PATENT GmbH (DE) 1996-10-23 — — EP disclosed
EP-0723962-A1 Arylalkyl-thiadiazinones MERCK PATENT GmbH (DE) 1996-07-31 — — EP disclosed
US-5496928-A Endothelin antagonistic substance BANYU PHARMACEUTICAL CO., LTD. (JP) 1996-03-05 — — US disclosed
US-5389642-A Exhibit antagonistic properties toward angiotensin(II); useful for treatment of hypertensioni, aldosteronism, cardiac insufficiency, increased intraocular pressure and disorders of the central nervous system MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1995-02-14 — — US disclosed
EP-0602521-A1 Imidazopyridines MERCK PATENT GmbH (DE) 1994-06-22 — — EP disclosed
EP-0555537-A2 Endothelin antagonistic substance BANYU PHARMACEUTICAL CO., LTD. (JP) 1993-08-18 — — EP disclosed
EP-0505893-A1 Imidazopyridines MERCK PATENT GmbH (DE) 1992-09-30 — — 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 (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-20180244699-A1 1-HYDROXY-3H-2,1-BENZOXABOROLE DERIVATIVES AND THEIR USE AS MICROBIOCIDES CBR3, HCRTR2, HCAR3 SMN1; SMN2 3628/4885HPGD 2383/4885MAPT 4860/4885
US-20040006093-A1 Compounds which inhibit leukocyte adhesion mediated by VLA-4 VCAM1, ICAM1, CD4 SMN1; SMN2 1933/4885HPGD 2947/4885MAPT 816/4885

“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.