SCHEMBL5793841

SCHEMBL5793841

Cc1ccc(S(=O)(=O)CCCn2ccc3ccccc32)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK4 P11802 4/20 0.55
▸ CCND1 P24385 4/20 0.55
▸ ALDH1A1 P00352 4/20 0.53
▸ CYP3A4 P08684 2/20 0.53
▸ CYP2C9 P11712 2/20 0.53
▸ CYP2C19 P33261 2/20 0.53
▸ HTT P42858 2/20 0.50
▸ GAA P10253 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ MAPK1 P28482 2/20 0.47
▸ HTR2A P28223 1/20 0.46
▸ HTR2C P28335 1/20 0.46
▸ USP2 O75604 1/20 0.44
▸ ESR1 P03372 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ CASP1 P29466 1/20 0.44
▸ LMNA P02545 2/20 0.43

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
SCHEMBL8122231 0.81 CYP24A1 (0.62) CDK4CCND1ALDH1A1CYP3A4CYP2C9
SCHEMBL10373954 0.77 ALDH1A1 (0.80) CDK4CCND1ALDH1A1CYP3A4CYP2C9
SCHEMBL9037283 0.77 CYP24A1 (0.53) CDK4CCND1ALDH1A1CYP3A4CYP2C9
SCHEMBL30418240 0.77 CDK4 (0.66) CDK4CCND1ALDH1A1HTTMEN1
SCHEMBL9323330 0.74 ALDH1A1 (0.52) CDK4CCND1ALDH1A1CYP3A4CYP2C9
SCHEMBL15270782 0.73 CDK4 (0.69) CDK4CCND1ALDH1A1HTTKMT2A
SCHEMBL1820762 0.72 ALDH1A1 (1.00) ALDH1A1CYP3A4CYP2C9CYP2C19GAA
SCHEMBL1582969 0.72 ALDH1A1 (0.91) ALDH1A1CYP3A4CYP2C9CYP2C19GAA
SCHEMBL29374771 0.71 CDK4 (0.78) CDK4CCND1CYP3A4CYP2C19HTT
SCHEMBL464099 0.71 CDK4 (0.78) CDK4CCND1CYP3A4CYP2C19HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1651637-A1 3-AMINO CHROMAN AND 2-AMINO TETRALIN DERIVATIVES Wyeth (US) 2006-05-03 — — EP disclosed
US-20050032873-A1 3-Amino chroman and 2-amino tetralin derivatives WYETH (US) 2005-02-10 — — US disclosed
WO-2005012291-A1 3-AMINO CHOMAN AND 2-AMINO TETRALIN DERIVATIVES WYETH (US) 2005-02-10 — — 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 (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-20050032873-A1 3-Amino chroman and 2-amino tetralin derivatives TPH2, HTR2C, HTR7 CDK4 1117/4885CCND1 1573/4885ALDH1A1 3377/4885

“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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