SCHEMBL3337704

SCHEMBL3337704

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.42
RAB9A P51151 6/20 0.40
NPC1 O15118 3/20 0.40
ALDH1A1 P00352 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MAPT P10636 1/20 0.39
PTK2 Q05397 1/20 0.37
IDO1 P14902 1/20 0.36
F10 P00742 2/20 0.36
F2 P00734 1/20 0.36
F5 P12259 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
TDP1 Q9NUW8 1/20 0.35
THRB P10828 1/20 0.35
HPGD P15428 1/20 0.35
DEGS1 O15121 1/20 0.34
KDM4E B2RXH2 1/20 0.34
TP53 P04637 1/20 0.34
TSHR P16473 1/20 0.34
NFKB1 P19838 1/20 0.34

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
Hydrochloric Acid SCHEMBL3337692 0.99 L3MBTL1 (0.41) L3MBTL1RAB9ANPC1ALDH1A1NPSR1
SCHEMBL3307265 0.88 RAB9A (0.41) L3MBTL1RAB9ANPC1ALDH1A1NPSR1
SCHEMBL3309216 0.80 RAB9A (0.40) L3MBTL1RAB9ANPC1ALDH1A1NPSR1
SCHEMBL3306007 0.80 F10 (0.46) L3MBTL1RAB9ANPC1ALDH1A1NPSR1
SCHEMBL4260514 0.79 F10 (0.50) L3MBTL1RAB9ANPC1ALDH1A1NPSR1
SCHEMBL13394441 0.77 F10 (0.48) L3MBTL1RAB9ANPC1ALDH1A1NPSR1
Hydrochloric Acid SCHEMBL4263387 0.77 F10 (0.47) L3MBTL1RAB9ANPC1ALDH1A1NPSR1
SCHEMBL3306351 0.76 F10 (0.45) L3MBTL1RAB9ANPC1ALDH1A1NPSR1
SCHEMBL3306344 0.76 F10 (0.45) L3MBTL1RAB9ANPC1ALDH1A1NPSR1
SCHEMBL1252873 0.76 F10 (0.70) F10F2F5

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 L3MBTL1 1698/4885RAB9A 1817/4885NPC1 3353/4885
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 L3MBTL1 985/4885RAB9A 3368/4885NPC1 3879/4885
US-20090281074-A1 DRUG COMPOSITIONS AND METHODS FOR PREVENTING AND TREATING THROMBOSIS OR EMBOLISM C1R, C9, F2 L3MBTL1 1605/4885RAB9A 1678/4885NPC1 3934/4885

“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.