SCHEMBL19962909

SCHEMBL19962909

CCCn1cc(-n2cc(-c3ccc(S(=O)(=O)C(C)C)cc3)cn2)ccc1=O

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MELK Q14680 3/20 0.46
▸ CREBBP Q92793 4/20 0.36
▸ MAPKAPK2 P49137 1/20 0.34
▸ ADORA2A P29274 4/20 0.34
▸ ADORA2B P29275 4/20 0.34
▸ ADORA1 P30542 4/20 0.34
▸ ADORA3 P0DMS8 2/20 0.34
▸ ATM Q13315 1/20 0.34
▸ ATR Q13535 1/20 0.34
▸ MAP4K4 O95819 1/20 0.33
▸ GABRA2 P47869 1/20 0.33
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ NR3C1 P04150 1/20 0.32
▸ NPY5R Q15761 1/20 0.32
▸ CA1 P00915 1/20 0.32
▸ CA2 P00918 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
SCHEMBL19951564 0.87 MELK (0.49) MELKCREBBPMAPKAPK2ADORA2AADORA2B
SCHEMBL19951556 0.86 MELK (0.38) MELKCREBBPADORA2AADORA2BADORA1
SCHEMBL19962962 0.86 MELK (0.37) MELKCREBBPADORA2AADORA2BADORA1
SCHEMBL19962963 0.86 GABRA2 (0.41) MELKCREBBPADORA2AADORA2BADORA1
SCHEMBL19962926 0.83 MELK (0.45) MELKCREBBPMAPKAPK2ADORA2AADORA2B
SCHEMBL19521325 0.81 MELK (0.40) MELKCREBBPMAPKAPK2ADORA2AADORA2B
SCHEMBL29993163 0.80 ADORA2A (0.33) MELKCREBBPADORA2AADORA2BADORA1
SCHEMBL19951550 0.80 ADORA2A (0.33) MELKCREBBPADORA2AADORA2BADORA1
SCHEMBL19521406 0.80 MELK (0.44) MELKCREBBPMAP4K4
SCHEMBL19962971 0.80 CREBBP (0.38) MELKCREBBPMAPKAPK2ADORA2AADORA2B

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
US-11339142-B2 Di-substituted pyrazole compounds for the treatment of diseases FGH BIOTECH, INC. (US) 2022-05-24 — — US disclosed
WO-2020132700-A1 METHODS OF USING INHIBITORS OF SREBP IN COMBINATION WITH NICLOSAMIDE AND ANALOGS THEREOF Fgh Biotech Inc. (US) 2020-06-25 — — WO disclosed
US-20190194167-A1 DI-SUBSTITUTED PYRAZOLE COMPOUNDS FOR THE TREATMENT OF DISEASES FGH BIOTECH, INC. 2019-06-27 — — US disclosed
WO-2018049080-A1 DI-SUBSTITUTED PYRAZOLE COMPOUNDS FOR THE TREATMENT OF DISEASES FGH BIOTECH, INC. (US) 2018-03-15 — — WO 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-11339142-B2 Di-substituted pyrazole compounds for the treatment of diseases SREBF1, SREBF2, CYP27A1 MELK 1854/4885CREBBP 136/4885MAPKAPK2 441/4885
US-20190194167-A1 DI-SUBSTITUTED PYRAZOLE COMPOUNDS FOR THE TREATMENT OF DISEASES SREBF1, SREBF2, CYP27A1 MELK 1854/4885CREBBP 136/4885MAPKAPK2 441/4885

“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.

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