SCHEMBL1712427

SCHEMBL1712427

CS(=O)(=O)OCC(c1c2c(nn1-c1ccc(Cl)cc1)CCCC2)C1CCCCC1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 2/20 0.62
PTGS1 P23219 1/20 0.40
GABRA1 P14867 5/20 0.38
GABRA2 P47869 5/20 0.38
PTGS2 P35354 3/20 0.35
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
GRIA2 P42262 1/20 0.33
FAAH O00519 1/20 0.33
GAA P10253 1/20 0.32
MEN1 O00255 1/20 0.32
MAPK1 P28482 1/20 0.32
KMT2A Q03164 1/20 0.32
FPR2 P25090 1/20 0.32
PROKR1 Q8TCW9 1/20 0.32
SIGMAR1 Q99720 1/20 0.32

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
SCHEMBL2382233 0.98 NR1H4 (0.65) NR1H4PTGS1GABRA1GABRA2PTGS2
SCHEMBL1712215 0.81 NR1H4 (0.60) NR1H4PTGS1GABRA1GABRA2PTGS2
SCHEMBL2382394 0.81 NR1H4 (0.60) NR1H4PTGS1GABRA1GABRA2PTGS2
SCHEMBL2382733 0.79 NR1H4 (0.62) NR1H4PTGS1GABRA1GABRA2PTGS2
SCHEMBL2381696 0.79 NR1H4 (0.97) NR1H4GABRA1GABRA2CNR1CNR2
SCHEMBL1712077 0.79 NR1H4 (0.97) NR1H4GABRA1GABRA2CNR1CNR2
SCHEMBL2382276 0.78 NR1H4 (0.82) NR1H4GABRA1GABRA2CNR1CNR2
SCHEMBL1712395 0.78 NR1H4 (0.56) NR1H4PTGS1PTGS2CNR1CNR2
SCHEMBL1712085 0.78 NR1H4 (0.82) NR1H4GABRA1GABRA2CNR1CNR2
SCHEMBL1712107 0.77 NR1H4 (0.71) NR1H4GABRA1GABRA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2344459-B1 2,3-SUBSTITUTED INDAZOLE OR 4,5,6,7-TETRAHYDRO-INDAZOLES AS FXR MODULATORS AGAINST DYSLIPIDEMIA AND RELATED DISEASES HOFFMANN LA ROCHE (CH) 2013-12-25 EP disclosed
US-8008505-B2 Indazole or 4,5,6,7-tetrahydro-indazole derivatives HOFFMANN-LA ROCHE INC. (US) 2011-08-30 US disclosed
EP-2344459-A1 2,3-SUBSTITUTED INDAZOLE OR 4,5,6,7-TETRAHYDRO-INDAZOLES AS FXR MODULATORS AGAINST DYSLIPIDEMIA AND RELATED DISEASES F. Hoffmann-La Roche AG (CH) 2011-07-20 EP disclosed
WO-2010034649-A1 2,3-SUBSTITUTED INDAZOLE OR 4,5,6,7-TETRAHYDRO-INDAZOLES AS FXR MODULATORS AGAINST DYSLIPIDEMIA AND RELATED DISEASES F. HOFFMANN-LA ROCHE AG (CH) 2010-04-01 WO disclosed
US-20100076027-A1 INDAZOLE OR 4,5,6,7-TETRAHYDRO-INDAZOLE DERIVATIVES HOFFMANN-LA ROCHE, INC. 2010-03-25 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 (1 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-20100076027-A1 INDAZOLE OR 4,5,6,7-TETRAHYDRO-INDAZOLE DERIVATIVES NR1H4, ABCB11, FXR1 NR1H4 1/4885PTGS1 899/4885GABRA1 915/4885

“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.