Sugi Predict

Sugi Predict / Compounds / SCHEMBL72627

SCHEMBL72627

SCHEMBL72627

CCOC(=O)Cc1cc(Cl)c(N)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ DPP4 P27487 2/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ CHEK1 O14757 1/20 0.38
▸ NR4A1 P22736 1/20 0.37
▸ HCAR2 Q8TDS4 1/20 0.37
▸ EGFR P00533 1/20 0.37
▸ HSD11B1 P28845 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ HTR3A P46098 1/20 0.36
▸ HTR4 Q13639 1/20 0.36

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 SCHEMBL72626 0.98 DPP4 (0.40) SMN1; SMN2DPP4KMT2ATDP1PKM
SCHEMBL11810881 0.86 KMT2A (0.43) SMN1; SMN2DPP4KMT2ATDP1PKM
SCHEMBL2433074 0.86 SMN1; SMN2 (0.38) SMN1; SMN2DPP4KMT2ATDP1PKM
SCHEMBL3340926 0.86 TDP1 (0.41) SMN1; SMN2DPP4KMT2ATDP1PKM
SCHEMBL5062548 0.83 TDP1 (0.40) SMN1; SMN2DPP4KMT2ATDP1PKM
Acetic Acid SCHEMBL5188785 0.83 SMN1; SMN2 (0.36) SMN1; SMN2DPP4KMT2ATDP1PKM
SCHEMBL1354053 0.79 MAOA (0.44) SMN1; SMN2KMT2APKMGAAMAPT
SCHEMBL4277534 0.79 MAOA (0.44) SMN1; SMN2PKMEGFRMAPTCYP1A2
SCHEMBL5489679 0.78 NLRP3 (0.43) SMN1; SMN2KMT2ATDP1PKMGAA
SCHEMBL5810846 0.78 SMN1; SMN2 (0.46) SMN1; SMN2DPP4KMT2ATDP1PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20120157437-A1 VLA-4 INHIBITORY DRUG DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-06-21 — — US disclosed
US-8129366-B2 VLA-4 inhibitory drug DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-03-06 — — US disclosed
EP-1346982-B1 VLA-4 INHIBITORS DAIICHI SEIYAKU CO (JP) 2011-09-14 — — EP disclosed
US-20100076202-A1 METHOD FOR PRODUCING PYRROLIDINE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2010-03-25 — — US disclosed
US-20090233901-A1 VLA-4 INHIBITORY DRUG DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-09-17 — — US disclosed
CN-100471838-C VLA-4 inhibitors DAIICHI SEIYAKU CO (JP) 2009-03-25 — — CN disclosed
EP-1961750-A1 VLA-4 INHIBITORY DRUG Daiichi Sankyo Company, Limited (JP) 2008-08-27 — — EP disclosed
CN-100396680-C Vla-4 inhibitors DAICHI PHARMACEUTICAL CO LTD (JP) 2008-06-25 — — CN disclosed
US-20070105935-A1 Process for producing pyrrolidine derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-05-10 — — US disclosed
US-20070105935-A1 Process for producing pyrrolidine derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-05-10 — — US disclosed
US-7157487-B2 Vla-4 inhibitors DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-01-02 — — US disclosed
EP-1698611-A1 PROCESS FOR PRODUCING PHENYLACETIC ACID DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-09-06 — — EP disclosed
EP-1698621-A1 METHOD FOR PRODUCING PYRROLIDINE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-09-06 — — EP disclosed
EP-1623975-A1 PROCESS FOR PRODUCING PYRROLIDINE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-02-08 — — EP 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 (6 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-20120157437-A1 VLA-4 INHIBITORY DRUG VCAM1, ITGB4, ITGA4 SMN1; SMN2 4739/4885DPP4 1119/4885KMT2A 568/4885
US-20130065882-A1 VLA-4 inhibitory drug VCAM1, ITGB4, ITGA4 SMN1; SMN2 4702/4885DPP4 1005/4885KMT2A 656/4885
US-20100076202-A1 METHOD FOR PRODUCING PYRROLIDINE DERIVATIVE ALDH18A1, PLAAT4, ACSL4 SMN1; SMN2 3959/4885DPP4 56/4885KMT2A 647/4885
US-20040110945-A1 Vla-4 inhibitors VCAM1, ITGA1, ITGB4 SMN1; SMN2 3702/4885DPP4 241/4885KMT2A 344/4885
US-20090233901-A1 VLA-4 INHIBITORY DRUG VCAM1, ITGB4, ITGA4 SMN1; SMN2 4787/4885DPP4 1051/4885KMT2A 881/4885
US-20070105935-A1 Process for producing pyrrolidine derivative ACSL4, ALDH18A1, LTA SMN1; SMN2 4476/4885DPP4 188/4885KMT2A 1387/4885

“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.