SCHEMBL12035670

SCHEMBL12035670

N[C@@H]1CCS(=O)(=O)C[C@@H]1NC(=O)c1cc2cc(Cl)ccc2[nH]1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ SMYD3 Q9H7B4 2/20 0.61
▸ SYK P43405 1/20 0.57
▸ PYGL P06737 7/20 0.56
▸ EHMT2 Q96KQ7 1/20 0.49
▸ F10 P00742 8/20 0.48
▸ HRH4 Q9H3N8 1/20 0.47
▸ PYGM P11217 3/20 0.47
▸ F2 P00734 4/20 0.47

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
SCHEMBL12035678 0.87 MLLT1 (0.58) SMYD3SYKPYGLF10HRH4
SCHEMBL1855761 0.85 SMYD3 (0.70) SMYD3PYGLEHMT2F10HRH4
SCHEMBL15044999 0.85 SMYD3 (0.70) SMYD3PYGLEHMT2F10HRH4
SCHEMBL1855759 0.85 SMYD3 (0.70) SMYD3PYGLEHMT2F10HRH4
SCHEMBL1857427 0.83 SMYD3 (0.67) SMYD3PYGLEHMT2F10F2
SCHEMBL5371698 0.83 SMYD3 (0.67) SMYD3PYGLEHMT2F10F2
SCHEMBL1860174 0.83 SMYD3 (0.67) SMYD3SYKPYGLEHMT2F10
SCHEMBL13378793 0.83 SMYD3 (0.67) SMYD3PYGLEHMT2F10F2
SCHEMBL742891 0.83 SMYD3 (0.67) SMYD3SYKPYGLEHMT2F10
SCHEMBL742890 0.83 SMYD3 (0.67) SMYD3SYKPYGLEHMT2F10

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 20 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-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-20110077266-A1 Diamine Derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-03-31 — — US disclosed
US-20110077266-A1 Diamine Derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-03-31 — — US disclosed
US-20100099660-A1 METHOD FOR TREATING THROMBOSIS OR EMBOLISM AND RELATED DISEASES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2010-04-22 — — US disclosed
US-20100099660-A1 METHOD FOR TREATING THROMBOSIS OR EMBOLISM AND RELATED DISEASES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2010-04-22 — — US disclosed
US-20100093785-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2010-04-15 — — US disclosed
US-20100093785-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2010-04-15 — — 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-20090281074-A1 DRUG COMPOSITIONS AND METHODS FOR PREVENTING AND TREATING THROMBOSIS OR EMBOLISM DAIICHI PHARMACEUTICAL CO., LTD (JP) 2009-11-12 — — US disclosed
US-20090270446-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-10-29 — — US disclosed
US-7576135-B2 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-08-18 — — US disclosed
US-7576135-B2 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-08-18 — — US disclosed
US-7365205-B2 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 SANKYO COMPANY, LIMITED (JP) 2008-04-29 — — US disclosed
US-7365205-B2 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 SANKYO COMPANY, LIMITED (JP) 2008-04-29 — — US disclosed
US-7342014-B2 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-03-11 — — US disclosed
US-7342014-B2 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-03-11 — — US disclosed
US-20080015215-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-01-17 — — US disclosed
US-20080015215-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-01-17 — — US 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 (7 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-20090270446-A1 DIAMINE DERIVATIVES F2, TFPI, F3 SMYD3 2701/4885SYK 1228/4885PYGL 1509/4885
US-20100099660-A1 METHOD FOR TREATING THROMBOSIS OR EMBOLISM AND RELATED DISEASES F2, PLAT, MPL SMYD3 4107/4885SYK 465/4885PYGL 1260/4885
US-20080015215-A1 DIAMINE DERIVATIVES C9, C1S, C1R SMYD3 3513/4885SYK 2089/4885PYGL 3803/4885
US-20100093785-A1 DIAMINE DERIVATIVES C9, C1S, C1R SMYD3 3311/4885SYK 1675/4885PYGL 4049/4885
US-20090281074-A1 DRUG COMPOSITIONS AND METHODS FOR PREVENTING AND TREATING THROMBOSIS OR EMBOLISM C1R, C9, F2 SMYD3 3773/4885SYK 1668/4885PYGL 3554/4885
US-20110077266-A1 Diamine Derivatives F2, TFPI, F3 SMYD3 2701/4885SYK 1228/4885PYGL 1509/4885
US-20110312990-A1 Diamine Derivatives C9, C1S, C1R SMYD3 3337/4885SYK 1979/4885PYGL 3866/4885

“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.

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