SCHEMBL741187

SCHEMBL741187

CS(=O)(=O)OCCc1ncsc1COS(C)(=O)=O

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 2/20 0.34
LMNA P02545 2/20 0.34
USP2 O75604 1/20 0.34
MMP9 P14780 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
CYP1A2 P05177 2/20 0.31
CYP2D6 P10635 2/20 0.31
MEN1 O00255 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
KMT2A Q03164 1/20 0.31
CYP3A4 P08684 1/20 0.30

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
SCHEMBL2076979 0.78 ALDH1A1 (0.51) ALDH1A1KDM4ELMNAUSP2MMP9
SCHEMBL26696056 0.77 ALDH1A1 (0.46) ALDH1A1KDM4ELMNAUSP2MMP9
SCHEMBL18381667 0.76 KDM4E (0.33) ALDH1A1KDM4ELMNACYP1A2CYP2D6
SCHEMBL27247680 0.72
SCHEMBL18667371 0.72
SCHEMBL8570176 0.68 ALDH1A1 (0.43) ALDH1A1KDM4EMEN1KMT2A
SCHEMBL23416989 0.66 ALDH1A1 (0.38) ALDH1A1KDM4ELMNAUSP2MMP9
SCHEMBL10746302 0.66 CYP1A2 (0.39) ALDH1A1KDM4ELMNAUSP2MMP9
SCHEMBL2474170 0.66 LMNA (0.38) ALDH1A1KDM4ELMNAUSP2MMP9
SCHEMBL837082 0.64 ALDH1A1 (0.44) ALDH1A1KDM4ELMNAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2431370-B1 Monoacylated 1,2-diaminocycloalkanes DAIICHI SANKYO CO LTD (JP) 2013-06-19 EP disclosed
EP-1405852-B9 DIAMINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2013-03-27 EP 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
EP-1405852-B1 DIAMINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2012-08-01 EP disclosed
EP-1270557-B1 ETHYLENEDIAMINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2012-07-25 EP disclosed
EP-2431370-A1 Monoacylated 1,2-diaminocycloalkanes DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2012-03-21 EP disclosed
US-20110312990-A1 Diamine Derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-12-22 US disclosed
US-20050245565-A1 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-11-03 US disclosed
EP-1577302-A1 NOVEL ETHYLENEDIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-09-21 EP disclosed
EP-1577301-A1 DIAMINE 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
US-20040122063-A1 Ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-06-24 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
CN-1438993-A Ethylenediamine derivatives DAIICHI SEIYAKU CO (JP) 2003-08-27 CN disclosed
EP-1270557-A1 ETHYLENEDIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-01-02 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 (5 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-20050020645-A1 Diamine derivatives C9, C1S, C1R ALDH1A1 3319/4885KDM4E 3971/4885LMNA 2624/4885
US-20050245565-A1 Diamine derivatives C9, C1S, C1R ALDH1A1 3319/4885KDM4E 3971/4885LMNA 2624/4885
US-20050119486-A1 Diamine derivatives C9, C1S, C1R ALDH1A1 3319/4885KDM4E 3971/4885LMNA 2624/4885
US-20110312990-A1 Diamine Derivatives C9, C1S, C1R ALDH1A1 3734/4885KDM4E 3759/4885LMNA 2829/4885
US-20040122063-A1 Ethylenediamine derivatives ECE1, F2, ECE2 ALDH1A1 2109/4885KDM4E 645/4885LMNA 868/4885

“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.