SCHEMBL3307265

SCHEMBL3307265

CC(C)(C)OC(=O)N[C@@H]1C[C@@H](C(=O)OC(C)(C)C)CC[C@@H]1NC(=S)C(=O)Nc1ccc(Cl)cn1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
ALDH1A1 P00352 2/20 0.41
NPC1 O15118 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
F10 P00742 2/20 0.40
F2 P00734 1/20 0.40
F5 P12259 1/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.37
PTK2 Q05397 1/20 0.37
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
PKM P14618 1/20 0.35
KMT2A Q03164 1/20 0.35
CCR1 P32246 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
SCHEMBL3306007 0.92 F10 (0.46) RAB9AL3MBTL1ALDH1A1NPC1NPSR1
SCHEMBL3309216 0.91 RAB9A (0.40) RAB9AL3MBTL1ALDH1A1NPC1NPSR1
SCHEMBL4260514 0.91 F10 (0.50) RAB9AL3MBTL1ALDH1A1NPC1NPSR1
SCHEMBL3337704 0.88 L3MBTL1 (0.42) RAB9AL3MBTL1ALDH1A1NPC1NPSR1
Hydrochloric Acid SCHEMBL3337692 0.88 L3MBTL1 (0.41) RAB9AL3MBTL1ALDH1A1NPC1NPSR1
SCHEMBL3306351 0.86 F10 (0.45) RAB9AL3MBTL1ALDH1A1NPC1NPSR1
SCHEMBL3306344 0.86 F10 (0.45) RAB9AL3MBTL1ALDH1A1NPC1NPSR1
SCHEMBL4268693 0.85 F10 (0.44) RAB9AL3MBTL1ALDH1A1NPC1NPSR1
SCHEMBL4954629 0.84 F10 (0.46) RAB9AL3MBTL1ALDH1A1NPC1NPSR1
SCHEMBL4265654 0.84 F10 (0.49) RAB9AL3MBTL1ALDH1A1NPC1NPSR1

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 10 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-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 RAB9A 1817/4885L3MBTL1 1698/4885ALDH1A1 3214/4885
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 RAB9A 3368/4885L3MBTL1 985/4885ALDH1A1 3430/4885
US-20090281074-A1 DRUG COMPOSITIONS AND METHODS FOR PREVENTING AND TREATING THROMBOSIS OR EMBOLISM C1R, C9, F2 RAB9A 1678/4885L3MBTL1 1605/4885ALDH1A1 3454/4885

“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.