SCHEMBL5008210

SCHEMBL5008210

CC(=O)Nn1ccc(C(=O)O)n1.c1cc2cc-2c1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.42
KMO O15229 2/20 0.39
KDM4E B2RXH2 2/20 0.39
LMNA P02545 1/20 0.39
FAAH O00519 3/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
RPA1 P27694 2/20 0.37
AKR1C3 P42330 1/20 0.37
AKR1C1 Q04828 1/20 0.37
LDHA P00338 2/20 0.37
MGLL Q99685 2/20 0.36
MME P08473 1/20 0.35
MMEL1 Q495T6 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
ADORA1 P30542 1/20 0.35

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
SCHEMBL2802508 0.88 MME (0.38) KDM4ELMNAFAAHALDH1A1HSD17B10
SCHEMBL954862 0.72 CYP3A4 (0.45) KDM4ELMNAHPGDHSD17B10AKR1C3
SCHEMBL3937476 0.71 JAK2 (0.41) ALDH1A1HPGD
SCHEMBL3936139 0.69 MEN1 (0.48) KDM4EALDH1A1HPGD
SCHEMBL10917437 0.68 F2 (0.42) KDM4ELMNARPA1AKR1C3AKR1C1
SCHEMBL6028286 0.67 P4HTM (0.49) LMNAALDH1A1HPGDHSD17B10
Benzene SCHEMBL28772928 0.67 KMO (0.56) PTPN1KMOKDM4ELMNAMGLL
Acetic Acid SCHEMBL734741 0.67 KMO (0.56) PTPN1KMOKDM4ELMNAMGLL
Acetone SCHEMBL18784619 0.64 KMO (0.52) PTPN1KMOLMNAMGLL
SCHEMBL27412940 0.64 HTT (0.49) KDM4ELMNAALDH1A1

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 PTPN1 1563/4885KMO 3132/4885KDM4E 3446/4885

“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.