SCHEMBL21130659

SCHEMBL21130659

CCCn1cc(-n2cc(-c3ccc(S(=O)(=O)C(CC)CC)cc3F)cn2)ccc1=O

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ GABRA2 P47869 10/20 0.37
▸ MELK Q14680 3/20 0.36
▸ ADORA3 P0DMS8 1/20 0.33
▸ ADORA2A P29274 1/20 0.33
▸ ADORA2B P29275 1/20 0.33
▸ ADORA1 P30542 1/20 0.33
▸ CREBBP Q92793 2/20 0.32
▸ ALOX5AP P20292 1/20 0.32
▸ FEN1 P39748 1/20 0.32
▸ NR3C1 P04150 1/20 0.31
▸ NPY5R Q15761 1/20 0.31
▸ SCN9A Q15858 1/20 0.31

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
SCHEMBL19962963 0.91 GABRA2 (0.41) GABRA2MELKADORA3ADORA2AADORA2B
SCHEMBL19962968 0.89 MELK (0.36) GABRA2MELKADORA3ADORA2AADORA2B
SCHEMBL19962967 0.83 GABRA2 (0.38) GABRA2MELKALOX5APFEN1
SCHEMBL19521380 0.82 MELK (0.38) MELKADORA3ADORA2AADORA2BADORA1
SCHEMBL19541537 0.81 PGR (0.42) NR3C1
SCHEMBL19541542 0.81 PGR (0.39) MELKNR3C1
SCHEMBL19962962 0.80 MELK (0.37) GABRA2MELKADORA3ADORA2AADORA2B
SCHEMBL19962910 0.78 MELK (0.40) MELKCREBBPNR3C1NPY5RSCN9A
SCHEMBL19951542 0.77 MELK (0.38) GABRA2MELKCREBBP
SCHEMBL29993004 0.77 MELK (0.38) GABRA2MELKCREBBP

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 2 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
US-20190194167-A1 DI-SUBSTITUTED PYRAZOLE COMPOUNDS FOR THE TREATMENT OF DISEASES FGH BIOTECH, INC. 2019-06-27 — — 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-11339142-B2 Di-substituted pyrazole compounds for the treatment of diseases SREBF1, SREBF2, CYP27A1 GABRA2 3372/4885MELK 1854/4885ADORA3 3248/4885
US-20190194167-A1 DI-SUBSTITUTED PYRAZOLE COMPOUNDS FOR THE TREATMENT OF DISEASES SREBF1, SREBF2, CYP27A1 GABRA2 3372/4885MELK 1854/4885ADORA3 3248/4885

“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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