Sugi Predict

Sugi Predict / Compounds / SCHEMBL90470

SCHEMBL90470

SCHEMBL90470

CCOC(=O)Cc1ccc(N)c(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.49
▸ MAPT P10636 1/20 0.48
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ ALOX15 P16050 2/20 0.46
▸ CRHBP P24387 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ CRHR2 Q13324 1/20 0.46
▸ TSHR P16473 2/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ ALDH1A1 P00352 3/20 0.45
▸ GAA P10253 1/20 0.45
▸ GFER P55789 1/20 0.45
▸ SIGMAR1 Q99720 2/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ CYP4Z1 Q86W10 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ PKM P14618 1/20 0.43
▸ NFKB1 P19838 1/20 0.43
▸ RAB9A P51151 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
Hydrochloric Acid SCHEMBL90469 0.98 MAPT (0.50) CYP3A4MAPTL3MBTL1ALOX15CRHBP
SCHEMBL9610089 0.88 ESR2 (0.47) CYP3A4MAPTL3MBTL1HTTTSHR
SCHEMBL7266886 0.88 ALDH1A1 (0.49) MAPTL3MBTL1ALOX15CRHBPHTT
SCHEMBL31287243 0.85 ALDH1A1 (0.53) MAPTL3MBTL1HTTTSHRSMN1; SMN2
SCHEMBL118588 0.85 ALDH1A1 (0.53) MAPTL3MBTL1HTTTSHRSMN1; SMN2
SCHEMBL31441301 0.85 TSHR (0.60) MAPTL3MBTL1ALOX15CRHBPHTT
SCHEMBL2646637 0.85 TSHR (0.60) MAPTL3MBTL1ALOX15CRHBPHTT
SCHEMBL3928804 0.85 CYP4F2 (0.56) CYP3A4TSHRSMN1; SMN2ALDH1A1GAA
SCHEMBL5156693 0.84 SKP2 (0.49) MAPTL3MBTL1HTTSMN1; SMN2ALDH1A1
SCHEMBL2434505 0.84 ALDH1A1 (0.64) CYP3A4MAPTALOX15TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105085226-A Preparing method of 3,5-halogeno benzene carboxylic acid YANTAI GEM CHEMICALS CO LTD 2015-11-25 — — CN disclosed
EP-2346834-B1 3-AMINO-INDAZOLE OR 3-AMINO-4,5,6,7-TETRAHYDRO-INDAZOLE DERIVATIVES HOFFMANN LA ROCHE (CH) 2013-11-20 — — EP disclosed
US-20130261185-A1 Benzamide Derivatives As EP4 Receptor Agonists GLAXO GROUP LIMITED (GB) 2013-10-03 — — US disclosed
US-20130261185-A1 Benzamide Derivatives As EP4 Receptor Agonists GLAXO GROUP LIMITED (GB) 2013-10-03 — — US disclosed
EP-1961750-B1 VLA-4 INHIBITORY DRUG DAIICHI SANKYO CO LTD (JP) 2013-09-18 — — EP disclosed
US-20130065882-A1 VLA-4 inhibitory drug MACHINAGA NOBUO (JP) 2013-03-14 — — US disclosed
CN-101610764-B Benzamide derivatives as EP4 receptor agonists GLAXO GROUP LTD 2012-11-21 — — CN disclosed
US-8314147-B2 Benzamide derivatives as EP4 receptor agonists GLAXO GROUP LIMITED (GB) 2012-11-20 — — US disclosed
US-8314147-B2 Benzamide derivatives as EP4 receptor agonists GLAXO GROUP LIMITED (GB) 2012-11-20 — — US disclosed
EP-1979317-B1 BENZOISOINDOLE DERIVATIVES FOR THE TREATMENT OF PAIN GLAXO GROUP LTD (GB) 2012-08-22 — — EP disclosed
WO-2008012344-A1 NAPHTHALENE DERIVATIVES USED AS EP4 RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2008-01-31 — — WO disclosed
WO-2008012347-A1 BENZO [F] ISOINDOLES AS EP4 RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2008-01-31 — — WO disclosed
US-20070232601-A1 Vla-4 Inhibitor DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-10-04 — — US disclosed
WO-2007088189-A1 BENZOISOINDOLE DERIVATIVES FOR THE TREATMENT OF PAIN GLAXO GROUP LIMITED (GB) 2007-08-09 — — WO disclosed
EP-1757602-A1 VLA-4 INHIBITOR DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-02-28 — — EP disclosed
US-7157487-B2 Vla-4 inhibitors DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-01-02 — — US disclosed
CN-1699363-A Vla-4 inhibitors DAICHI PHARMACEUTICAL CO LTD (JP) 2005-11-23 — — CN disclosed
US-20040110945-A1 Vla-4 inhibitors DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-06-10 — — US disclosed
CN-1483024-A Vla-4 inhibitors ��һ��������ҩ��ʽ���� 2004-03-17 — — CN disclosed
EP-1346982-A1 VLA-4 INHIBITORS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-09-24 — — 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 (4 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-20130065882-A1 VLA-4 inhibitory drug VCAM1, ITGB4, ITGA4 CYP3A4 59/4885MAPT 4773/4885L3MBTL1 3136/4885
US-20070232601-A1 Vla-4 Inhibitor VCAM1, ITGB4, ITGA4 CYP3A4 475/4885MAPT 2200/4885L3MBTL1 1686/4885
US-20040110945-A1 Vla-4 inhibitors VCAM1, ITGA1, ITGB4 CYP3A4 1003/4885MAPT 4631/4885L3MBTL1 668/4885
US-20130261185-A1 Benzamide Derivatives As EP4 Receptor Agonists PTGER4, PTGER1, PTGER3 CYP3A4 146/4885MAPT 4671/4885L3MBTL1 3307/4885

“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.