SCHEMBL6044727

SCHEMBL6044727

Nc1cccc(CCC(=O)S)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 2/20 0.55
▸ MAOB P27338 2/20 0.55
▸ CYP19A1 P11511 1/20 0.53
▸ THRA P10827 1/20 0.47
▸ THRB P10828 1/20 0.47
▸ FFAR1 O14842 1/20 0.45
▸ GRM2 Q14416 1/20 0.44
▸ GRM3 Q14832 1/20 0.44
▸ GLS O94925 2/20 0.40
▸ SIGMAR1 Q99720 2/20 0.40
▸ CPN1 P15169 1/20 0.40
▸ CPB2 Q96IY4 1/20 0.40
▸ PTPRB P23467 1/20 0.40
▸ CDC25A P30304 1/20 0.40
▸ CDC25B P30305 1/20 0.40
▸ PTEN P60484 1/20 0.40
▸ PTPMT1 Q8WUK0 1/20 0.40
▸ KEAP1 Q14145 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CASP1 P29466 1/20 0.39

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
SCHEMBL20466171 0.84 MAOA (0.53) MAOAMAOBCYP19A1THRATHRB
SCHEMBL4604250 0.83 MAOA (0.57) MAOAMAOBCYP19A1THRATHRB
SCHEMBL360723 0.83 THRA (0.62) MAOAMAOBCYP19A1THRATHRB
SCHEMBL28186660 0.83 MAOA (0.57) MAOAMAOBCYP19A1THRATHRB
Hydrochloric Acid SCHEMBL6774044 0.81 MAOA (0.63) MAOAMAOBCYP19A1THRATHRB
SCHEMBL2491917 0.81 MAOA (0.55) MAOAMAOBCYP19A1THRATHRB
SCHEMBL4604247 0.81 MAOA (0.55) MAOAMAOBCYP19A1THRATHRB
SCHEMBL1818277 0.81 ALDH1A1 (0.60) MAOAMAOBCYP19A1THRATHRB
SCHEMBL7951077 0.81 MAOA (0.48) MAOAMAOBCYP19A1THRATHRB
SCHEMBL13622519 0.79 F2 (0.53) MAOAMAOBCYP19A1THRATHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060100261-A1 Furan or thiopene derivative and medicinal use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED INTELLECTUAL PROPERTY DEPARTMENT (JP) 2006-05-11 — — 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-20060100261-A1 Furan or thiopene derivative and medicinal use thereof TXN2, CYP11B2, CYP11B1 MAOA 3320/4885MAOB 2227/4885CYP19A1 535/4885

“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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