Sugi Predict

Sugi Predict / Compounds / SCHEMBL1503828

SCHEMBL1503828

SCHEMBL1503828

CCOC(=O)c1nc(Cl)c(C2OCCO2)s1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 6/20 0.37
▸ HSD17B10 Q99714 3/20 0.37
▸ HTT P42858 2/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ ALDH1A1 P00352 9/20 0.36
▸ GAA P10253 3/20 0.36
▸ TSHR P16473 2/20 0.36
▸ CYP1A2 P05177 3/20 0.35
▸ MAPT P10636 2/20 0.34
▸ TRPM8 Q7Z2W7 1/20 0.34
▸ PTGS2 P35354 1/20 0.34
▸ KDM4E B2RXH2 4/20 0.34
▸ POLB P06746 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ TARBP2 Q15633 1/20 0.33
▸ LMNA P02545 1/20 0.33

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
SCHEMBL25409486 0.76 TSHR (0.44) HPGDHSD17B10HTTMAPK1ALDH1A1
SCHEMBL3662167 0.75 ALDH1A1 (0.42) HPGDHSD17B10ALDH1A1GAACYP1A2
SCHEMBL1704595 0.75 ALDH1A1 (0.42) HPGDHSD17B10ALDH1A1GAACYP1A2
SCHEMBL16742796 0.72 CDC7 (0.38) HPGDHSD17B10HTTMAPK1ALDH1A1
SCHEMBL12035806 0.71 ALDH1A1 (0.42) HPGDHSD17B10ALDH1A1GAACYP1A2
SCHEMBL28798786 0.70 TARBP2 (0.38) HPGDHSD17B10HTTMAPK1ALDH1A1
SCHEMBL25204833 0.70 TARBP2 (0.38) HPGDHSD17B10HTTMAPK1ALDH1A1
SCHEMBL29656516 0.70 TARBP2 (0.38) HPGDHSD17B10HTTMAPK1ALDH1A1
SCHEMBL1504558 0.70 ALDH1A1 (0.42) HPGDALDH1A1GAACYP1A2MAPT
SCHEMBL29169026 0.68 HPGD (0.40) HPGDHSD17B10HTTMAPK1ALDH1A1

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
WO-2013149996-A9 SUBSTITUTED TRICYCLIC COMPOUNDS WITH ACTIVITY TOWARDS EP1 RECEPTORS ALMIRALL, S.A. (ES) 2014-02-20 — — WO disclosed
WO-2013149997-A1 SUBSTITUTED TRICYCLIC COMPOUNDS WITH ACTIVITY TOWARDS EP1 RECEPTORS ALMIRALL, S.A. (ES) 2013-10-10 — — WO disclosed
WO-2013149996-A1 SUBSTITUTED TRICYCLIC COMPOUNDS WITH ACTIVITY TOWARDS EP1 RECEPTORS ALMIRALL, S.A. (ES) 2013-10-10 — — WO disclosed
EP-1405852-B9 DIAMINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2013-03-27 — — EP disclosed
EP-1577301-B1 Antithrombotic diaminocyclohexane derivatives DAIICHI SANKYO CO LTD (JP) 2012-09-12 — — EP disclosed
EP-1577301-B1 Antithrombotic diaminocyclohexane derivatives DAIICHI SANKYO CO LTD (JP) 2012-09-12 — — EP disclosed
EP-1405852-B1 DIAMINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2012-08-01 — — EP disclosed
US-20110312990-A1 Diamine Derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-12-22 — — US disclosed
US-20110312990-A1 Diamine Derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-12-22 — — US disclosed
US-20110312990-A1 Diamine Derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-12-22 — — US disclosed
US-20070129371-A1 Novel ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-06-07 — — US disclosed
US-20060252837-A1 Cyclic diamine derivatives useful as agents for preventing and/or treating cerebral infarction, cerebral embolism, myocardial infarction, angina pectoris, pulmonary infarction, pulmonary embolism; inhibit activated blood coagulation factor X DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-11-09 — — US disclosed
CN-1745071-A Novel ethylenediamine derivative DAIICHI SEIYAKU CO (JP) 2006-03-08 — — CN disclosed
US-20050245565-A1 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-11-03 — — US disclosed
EP-1577301-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-09-21 — — EP disclosed
EP-1577302-A1 NOVEL ETHYLENEDIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-09-21 — — EP disclosed
US-20050119486-A1 Diamine derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2005-06-02 — — US disclosed
US-20050020645-A1 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-01-27 — — US disclosed
EP-1415992-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-05-06 — — EP disclosed
EP-1405852-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-04-07 — — 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-20070129371-A1 Novel ethylenediamine derivatives C1R, C9, C1S HPGD 3242/4885HSD17B10 1782/4885HTT 2458/4885
US-20060252837-A1 Cyclic diamine derivatives useful as agents for preventing and/or treating cerebral infarction, cerebral embolism, myocardial infarction, angina pectoris, pulmonary infarction, pulmonary embolism; inhibit activated blood coagulation factor X F2, C1S, C9 HPGD 1610/4885HSD17B10 1663/4885HTT 3634/4885
US-20050020645-A1 Diamine derivatives C9, C1S, C1R HPGD 2022/4885HSD17B10 1377/4885HTT 2635/4885
US-20050245565-A1 Diamine derivatives C9, C1S, C1R HPGD 2022/4885HSD17B10 1377/4885HTT 2635/4885
US-20050119486-A1 Diamine derivatives C9, C1S, C1R HPGD 2022/4885HSD17B10 1377/4885HTT 2635/4885
US-20110312990-A1 Diamine Derivatives C9, C1S, C1R HPGD 1811/4885HSD17B10 1326/4885HTT 2126/4885

“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.