SCHEMBL5010823

SCHEMBL5010823

CNc1ccc(C(=O)OC(C)OC(=O)OC2CCCCC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 5/20 0.49
▸ NPC1 O15118 3/20 0.49
▸ HTT P42858 2/20 0.49
▸ RAB9A P51151 2/20 0.49
▸ LMNA P02545 3/20 0.48
▸ MAPT P10636 3/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ ALDH1A1 P00352 2/20 0.46
▸ CYP1A2 P05177 2/20 0.43
▸ CYP2D6 P10635 2/20 0.43
▸ SCN1A P35498 1/20 0.43
▸ SCN2A Q99250 1/20 0.43
▸ SCN3A Q9NY46 1/20 0.43
▸ TSHR P16473 1/20 0.42
▸ STS P08842 4/20 0.40
▸ EPHX2 P34913 1/20 0.40
▸ MEN1 O00255 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ KMT2A Q03164 1/20 0.38

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
SCHEMBL25913609 0.86 SCN1A (0.48) SMN1; SMN2NPC1HTTRAB9ALMNA
SCHEMBL5010378 0.85 PARP10 (0.44) SMN1; SMN2NPC1HTTRAB9ALMNA
SCHEMBL24848168 0.85 MEN1 (0.46) SMN1; SMN2NPC1HTTRAB9ALMNA
SCHEMBL25920617 0.84 LMNA (0.56) SMN1; SMN2NPC1HTTRAB9ALMNA
SCHEMBL26804979 0.82 RAB9A (0.46) SMN1; SMN2NPC1HTTRAB9ALMNA
SCHEMBL6865989 0.75 ACHE (0.41) NPC1RAB9ALMNAMAPTCYP1A2
SCHEMBL1378229 0.74 HPGD (0.38) SMN1; SMN2NPC1HTTRAB9ALMNA
SCHEMBL1378233 0.74 ALDH1A1 (0.45) SMN1; SMN2NPC1HTTRAB9ALMNA
SCHEMBL13130088 0.73 EPHX1 (0.41) SMN1; SMN2HTTTSHRCYP2C19
SCHEMBL5986431 0.72 EPHX1 (0.40) SMN1; SMN2HTTTSHRMEN1CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1884513-A1 PYRAZOLE COMPOUND AND THERAPEUTIC AGENT FOR DIABETES COMPRISING THE SAME Japan Tobacco, Inc. (JP) 2008-02-06 — — EP claimed
US-20070032529-A1 Pyrazole compounds and their use as antidiabetes agents JAPAN TOBACCO INC. (JP) 2007-02-08 — — US claimed
EP-1884513-A1 PYRAZOLE COMPOUND AND THERAPEUTIC AGENT FOR DIABETES COMPRISING THE SAME Japan Tobacco, Inc. (JP) 2008-02-06 — — EP disclosed
US-20070032529-A1 Pyrazole compounds and their use as antidiabetes agents JAPAN TOBACCO INC. (JP) 2007-02-08 — — 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-20070032529-A1 Pyrazole compounds and their use as antidiabetes agents PYGL, GYS2, AGL SMN1; SMN2 4705/4885NPC1 2838/4885HTT 4237/4885

“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.

Send feedback