SCHEMBL5774708

SCHEMBL5774708

COC(=O)c1cnoc1-c1ccc(F)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 2/20 0.51
SLC6A4 P31645 1/20 0.51
NPC1 O15118 1/20 0.50
CASP3 P42574 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
SENP8 Q96LD8 1/20 0.50
SENP7 Q9BQF6 1/20 0.50
SENP6 Q9GZR1 1/20 0.50
LMNA P02545 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.44
TSHR P16473 4/20 0.42
ALDH1A1 P00352 4/20 0.42
HPGD P15428 3/20 0.42
CASP1 P29466 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MAPT P10636 2/20 0.40
CYP1A2 P05177 2/20 0.40
KDM4E B2RXH2 2/20 0.40
CYP2D6 P10635 1/20 0.40

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
SCHEMBL14564448 0.86 ALDH1A1 (0.56) NPC1CASP3RAB9ASMN1; SMN2SENP8
SCHEMBL20507202 0.85 ALDH1A1 (0.57) SLC6A3NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL20507173 0.85 SLC6A3 (0.51) SLC6A3SLC6A4NPC1CASP3RAB9A
SCHEMBL17468485 0.85 MAPT (0.51) SLC6A3NPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL13527916 0.84 PTGS1 (0.54) RAB9ASMN1; SMN2LMNATSHRALDH1A1
SCHEMBL11384351 0.84 ALDH1A1 (0.48) NPC1CASP3RAB9ASMN1; SMN2SENP7
SCHEMBL8110353 0.83 MEN1 (0.47) SLC6A3SLC6A4NPC1RAB9ASMN1; SMN2
SCHEMBL3180927 0.81 BCL2L1 (0.44) NPC1RAB9ASMN1; SMN2LMNAALDH1A1
SCHEMBL9392605 0.78 PTPN1 (0.51) SLC6A3NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL29059162 0.77 RAB9A (0.46) SLC6A3SLC6A4NPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180273906-A1 MICROVESICLE AND STEM CELL COMPOSITIONS FOR THERAPEUTIC APPLICATIONS IPS HEART 2018-09-27 US claimed
US-20210054344-A1 CPC EXOSOMES MIRNA373 COMBINATION THERAPIES IPS HEART 2021-02-25 US disclosed
US-20180273906-A1 MICROVESICLE AND STEM CELL COMPOSITIONS FOR THERAPEUTIC APPLICATIONS IPS HEART 2018-09-27 US disclosed
US-20060084690-A1 Isoxazole derivatives MOMOSE YU 2006-04-20 US disclosed
US-7022725-B2 Isoxazole derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-04-04 US disclosed
US-20040048908-A1 Isoxazole derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-03-11 US disclosed
EP-1340749-A1 ISOXAZOLE DERIVATIVES Takeda Chemical Industries, Ltd. (JP) 2003-09-03 EP 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 (4 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-20180273906-A1 MICROVESICLE AND STEM CELL COMPOSITIONS FOR THERAPEUTIC APPLICATIONS EXOSC9, EXOSC5, EXOSC4 SLC6A3 3120/4885SLC6A4 3953/4885NPC1 1167/4885
US-20210054344-A1 CPC EXOSOMES MIRNA373 COMBINATION THERAPIES EXOSC5, UTRN, EXOSC4 SLC6A3 2532/4885SLC6A4 3217/4885NPC1 2053/4885
US-20060084690-A1 Isoxazole derivatives INSR, GPR119, INSRR SLC6A3 1024/4885SLC6A4 2196/4885NPC1 2417/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 SLC6A3 2264/4885SLC6A4 2512/4885NPC1 1770/4885

“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.