SCHEMBL4268693

SCHEMBL4268693

CNC(=S)[C@H]1CC[C@H](NC(=O)C(=O)Nc2ccc(Cl)cn2)[C@H](NC(=O)OC(C)(C)C)C1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
F10 P00742 2/20 0.44
F2 P00734 1/20 0.44
F5 P12259 1/20 0.44
RAB9A P51151 4/20 0.41
ALDH1A1 P00352 2/20 0.41
NPC1 O15118 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MAPT P10636 1/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
KMT2A Q03164 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PKM P14618 1/20 0.36
PTK2 Q05397 1/20 0.36
THRB P10828 1/20 0.36
HPGD P15428 1/20 0.36
IDO1 P14902 1/20 0.35
KDM4E B2RXH2 1/20 0.35
TRPA1 O75762 1/20 0.35

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
SCHEMBL4267277 0.91 F10 (0.45) F10F2F5RAB9AALDH1A1
SCHEMBL3306344 0.91 F10 (0.45) F10F2F5RAB9AALDH1A1
SCHEMBL3306351 0.91 F10 (0.45) F10F2F5RAB9AALDH1A1
SCHEMBL4954629 0.89 F10 (0.46) F10F2F5RAB9AALDH1A1
SCHEMBL3306007 0.89 F10 (0.46) F10F2F5RAB9AALDH1A1
SCHEMBL4265654 0.89 F10 (0.49) F10F2F5RAB9AALDH1A1
SCHEMBL3309216 0.87 RAB9A (0.40) F10F2F5RAB9AALDH1A1
SCHEMBL30283397 0.87 F10 (0.57) F10F2F5RAB9AALDH1A1
SCHEMBL715126 0.87 F10 (0.57) F10F2F5RAB9AALDH1A1
SCHEMBL4275722 0.87 F10 (0.57) F10F2F5RAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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-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-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 (3 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-20100099660-A1 METHOD FOR TREATING THROMBOSIS OR EMBOLISM AND RELATED DISEASES F2, PLAT, MPL F10 152/4885F2 1/4885F5 52/4885
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 F10 9/4885F2 1/4885F5 7/4885
US-20090281074-A1 DRUG COMPOSITIONS AND METHODS FOR PREVENTING AND TREATING THROMBOSIS OR EMBOLISM C1R, C9, F2 F10 127/4885F2 3/4885F5 29/4885

“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.