SCHEMBL4265020

SCHEMBL4265020

CC(C)(C)OC(=O)NC1CCS(=O)(=O)CC1NC(=O)c1cc2cc(F)ccc2[nH]1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MLLT1 Q03111 1/20 0.51
▸ PYGL P06737 4/20 0.45
▸ GHSR Q92847 1/20 0.44
▸ PYGM P11217 1/20 0.43
▸ SYK P43405 1/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ F10 P00742 3/20 0.40
▸ SMYD3 Q9H7B4 1/20 0.40
▸ HRH4 Q9H3N8 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ PDPK1 O15530 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ NFKB1 P19838 1/20 0.39
▸ APEX1 P27695 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39

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
SCHEMBL12035676 1.00 MLLT1 (0.51) MLLT1PYGLGHSRPYGMSYK
SCHEMBL12035669 0.89 PYGL (0.52) PYGLF10SMYD3
SCHEMBL4261254 0.89 PYGL (0.52) PYGLF10SMYD3
SCHEMBL12833532 0.85 MLLT1 (0.58) MLLT1PYGLGHSRPYGMSYK
SCHEMBL2943145 0.82 MLLT1 (0.51) MLLT1PYGLGHSRPYGMMEN1
SCHEMBL12035678 0.81 MLLT1 (0.58) MLLT1PYGLGHSRPYGMSYK
SCHEMBL208111 0.80 MLLT1 (0.48) MLLT1PYGLGHSRPYGMMEN1
SCHEMBL4269561 0.80 F10 (0.60) MLLT1PYGLGHSRPYGMF10
SCHEMBL765158 0.78 MLLT1 (0.47) MLLT1PYGLGHSRPYGMMEN1
SCHEMBL1503946 0.78 MLLT1 (0.46) MLLT1PYGLGHSRPYGMMEN1

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 4 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-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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-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 MLLT1 1090/4885PYGL 4129/4885GHSR 1017/4885
US-20090281074-A1 DRUG COMPOSITIONS AND METHODS FOR PREVENTING AND TREATING THROMBOSIS OR EMBOLISM C1R, C9, F2 MLLT1 1362/4885PYGL 3554/4885GHSR 945/4885

“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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