SCHEMBL956707

SCHEMBL956707

c1coc(CC2CCCCC2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.43
NPC1 O15118 2/20 0.43
TSHR P16473 2/20 0.43
RECQL P46063 1/20 0.43
ALDH1A1 P00352 1/20 0.41
FAAH O00519 4/20 0.39
HTR3A P46098 1/20 0.37
HRH4 Q9H3N8 1/20 0.37
AAK1 Q2M2I8 1/20 0.36
NFE2L2 Q16236 1/20 0.35
KDM5B Q9UGL1 2/20 0.35
KDM5A P29375 1/20 0.35
VCP P55072 1/20 0.34
LTA4H P09960 1/20 0.33
CEL P19835 1/20 0.33
SYK P43405 1/20 0.33
MEN1 O00255 1/20 0.33
TP53 P04637 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL20599362 0.98 RAB9A (0.41) RAB9ANPC1TSHRRECQLALDH1A1
SCHEMBL28068772 0.81 FAAH (0.51) FAAHHRH4HRH3
SCHEMBL1456687 0.73 HTR2A (0.38) RAB9ANPC1TSHRALDH1A1MEN1
SCHEMBL4356558 0.69 CYP1B1 (0.30) FAAH
SCHEMBL22628983 0.69 RAB9A (0.44) RAB9ANPC1TSHRRECQLALDH1A1
SCHEMBL3197095 0.67 RAB9A (0.44) RAB9ANPC1TSHRRECQLALDH1A1
SCHEMBL7704422 0.67 CYP1B1 (0.32)
SCHEMBL21443574 0.66 LOX (0.39) RAB9ANPC1TSHRRECQLALDH1A1
SCHEMBL8551055 0.65 CYP2C19 (0.40) RAB9ANPC1ALDH1A1TP53SMN1; SMN2
SCHEMBL10419433 0.65 CYP2C19 (0.40) RAB9ANPC1ALDH1A1TP53SMN1; 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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7868030-B2 FBPase inhibitors for diabetes HOFFMANN-LA ROCHE INC. (US) 2011-01-11 US claimed
CN-101454301-A Thiazole derivatives HOFFMANN LA ROCHE (CH) 2009-06-10 CN claimed
EP-2032548-A1 THIAZOLE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2009-03-11 EP claimed
WO-2007137962-A1 THIAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-12-06 WO claimed
US-20070281979-A1 Fructose-1,6-bisphosphatase (FBPase) inhibitors, such as N-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]3(difluoromethoxy)benzenesulfonamide, used as antidiabetic agents HOFFMANN-LA ROCHE INC. 2007-12-06 US claimed
WO-2022172823-A1 ADDITIVE FOR ELECTROPLATING SOLUTION, ELECTROPLATING SOLUTION, ELECTROPLATING METHOD, AND METHOD FOR MANUFACTURING METAL LAYER 株式会社ADEKA 2022-08-18 WO disclosed
US-20110052612-A1 SPIROPIPERIDINE COMPOUND AND MEDICINAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2011-03-03 US disclosed
US-7868030-B2 FBPase inhibitors for diabetes HOFFMANN-LA ROCHE INC. (US) 2011-01-11 US disclosed
WO-2010046780-A2 ANTI VIRAL COMPOUNDS INSTITUT PASTEUR KOREA (KR) 2010-04-29 WO disclosed
CN-101454301-A Thiazole derivatives HOFFMANN LA ROCHE (CH) 2009-06-10 CN disclosed
EP-2032548-A1 THIAZOLE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2009-03-11 EP disclosed
EP-1889622-A1 SPIROPIPERIDINE COMPOUND AND MEDICINAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2008-02-20 EP disclosed
WO-2007137962-A1 THIAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-12-06 WO disclosed
US-20070281979-A1 Fructose-1,6-bisphosphatase (FBPase) inhibitors, such as N-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]3(difluoromethoxy)benzenesulfonamide, used as antidiabetic agents HOFFMANN-LA ROCHE INC. 2007-12-06 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-20070281979-A1 Fructose-1,6-bisphosphatase (FBPase) inhibitors, such as N-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]3(difluoromethoxy)benzenesulfonamide, used as antidiabetic agents FBP1, PFKFB1, PFKFB3 RAB9A 1955/4885NPC1 1201/4885TSHR 674/4885
US-20110052612-A1 SPIROPIPERIDINE COMPOUND AND MEDICINAL USE THEREOF CXCR3, CFTR, CXCR1 RAB9A 1257/4885NPC1 994/4885TSHR 2433/4885

“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.