SCHEMBL3300012

SCHEMBL3300012

Cc1ccc(S(=O)(=O)N2CCCc3nc(C(N)=O)sc3C2)cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
LMNA P02545 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MAPK1 P28482 2/20 0.46
PKM P14618 3/20 0.45
POLB P06746 1/20 0.45
HTT P42858 1/20 0.45
GBA1 P04062 1/20 0.43
CD4 P01730 3/20 0.42
F10 P00742 3/20 0.42
F2 P00734 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
HSD11B1 P28845 1/20 0.41
USP2 O75604 1/20 0.41

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
SCHEMBL3312108 0.84 PKM (0.49) ALDH1A1LMNASMN1; SMN2MAPK1PKM
SCHEMBL3300010 0.77 ALDH1A1 (0.49) ALDH1A1LMNASMN1; SMN2MAPK1PKM
SCHEMBL19104717 0.77 CD4 (0.52) ALDH1A1PKMPOLBHTTCD4
SCHEMBL976355 0.76 F10 (0.45) LMNASMN1; SMN2CD4F10F2
SCHEMBL976109 0.72 F10 (0.44) ALDH1A1LMNASMN1; SMN2MAPK1PKM
SCHEMBL976543 0.72 F10 (0.57) LMNASMN1; SMN2PKMCD4F10
SCHEMBL3623214 0.70 PKM (0.47) ALDH1A1LMNASMN1; SMN2PKMPOLB
SCHEMBL12169347 0.69 PKM (0.65) ALDH1A1LMNASMN1; SMN2PKMPOLB
SCHEMBL765133 0.68 F10 (0.49) ALDH1A1F10F2MEN1KMT2A
SCHEMBL12680947 0.67 NPC1 (0.55) PKMPOLBCD4MEN1KMT2A

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1577301-B1 Antithrombotic diaminocyclohexane derivatives DAIICHI SANKYO CO LTD (JP) 2012-09-12 EP disclosed
US-20100099660-A1 METHOD FOR TREATING THROMBOSIS OR EMBOLISM AND RELATED DISEASES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2010-04-22 US disclosed
US-20090281074-A1 DRUG COMPOSITIONS AND METHODS FOR PREVENTING AND TREATING THROMBOSIS OR EMBOLISM DAIICHI PHARMACEUTICAL CO., LTD (JP) 2009-11-12 US disclosed
US-7576135-B2 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-08-18 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
EP-1577302-A1 NOVEL ETHYLENEDIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-09-21 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-20070129371-A1 Novel ethylenediamine derivatives C1R, C9, C1S ALDH1A1 4310/4885LMNA 1968/4885SMN1; SMN2 763/4885
US-20100099660-A1 METHOD FOR TREATING THROMBOSIS OR EMBOLISM AND RELATED DISEASES F2, PLAT, MPL ALDH1A1 3214/4885LMNA 4081/4885SMN1; SMN2 847/4885
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 ALDH1A1 3430/4885LMNA 2788/4885SMN1; SMN2 1044/4885
US-20090281074-A1 DRUG COMPOSITIONS AND METHODS FOR PREVENTING AND TREATING THROMBOSIS OR EMBOLISM C1R, C9, F2 ALDH1A1 3454/4885LMNA 3830/4885SMN1; SMN2 847/4885

“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.