Sugi Predict

Sugi Predict / Compounds / SCHEMBL2113204

SCHEMBL2113204

SCHEMBL2113204

CS(=O)(=O)N(Cc1ccccc1)c1ncc(-c2cc(Cl)ccc2O)cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.43
▸ LMNA P02545 4/20 0.41
▸ HTT P42858 3/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ POLB P06746 2/20 0.40
▸ TRPM8 Q7Z2W7 3/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ NPSR1 Q6W5P4 2/20 0.38
▸ CYP3A4 P08684 2/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ GAA P10253 2/20 0.38
▸ PDK1 Q15118 1/20 0.38
▸ CDK9 P50750 1/20 0.37
▸ TUBB P07437 1/20 0.37
▸ AKT1 P31749 1/20 0.37
▸ ROCK1 Q13464 1/20 0.37

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
SCHEMBL2113926 0.90 TRPM8 (0.39) LMNAHTTTRPM8NPSR1CYP3A4
SCHEMBL1753571 0.83 PTGDR2 (0.57) MEN1KMT2A
SCHEMBL2111844 0.81 PDK1 (0.45) LMNAHTTMEN1KMT2ANPSR1
SCHEMBL2110554 0.78 IDO1 (0.39) ALDH1A1LMNAHTTMEN1KMT2A
SCHEMBL1753664 0.74 PTGDR2 (0.56) MEN1KMT2A
SCHEMBL2114576 0.73 ALDH1A1 (0.56) ALDH1A1HTTSMN1; SMN2POLBTRPM8
SCHEMBL5761774 0.72 ALDH1A1 (0.55) ALDH1A1HTTSMN1; SMN2POLBTRPM8
SCHEMBL5764248 0.71 VNN1 (0.53) LMNAPOLBMEN1KMT2ANPSR1
SCHEMBL5761769 0.71 ALDH1A1 (0.54) ALDH1A1HTTSMN1; SMN2POLBTRPM8
SCHEMBL27658652 0.69 IDO1 (0.37) ALDH1A1LMNAHTTSMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1611091-B1 Substituted phenylalkanoic acid derivatives and their use for respiratory disease treatment ASTRAZENECA AB (SE) 2014-10-29 — — EP disclosed
US-8158820-B2 Compounds ASTRAZENECA AB (SE) 2012-04-17 — — US disclosed
US-20110166117-A1 Novel Compounds ASTRAZENECA AB (SE) 2011-07-07 — — US disclosed
US-20060264435-A1 Novel compounds ASTRAZENECA AB (SE) 2006-11-23 — — US disclosed
EP-1611091-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2006-01-04 — — EP disclosed
WO-2004089885-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2004-10-21 — — 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-20110166117-A1 Novel Compounds ADRA2C, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HCAR2 ALDH1A1 284/4885LMNA 2362/4885HTT 931/4885
US-20060264435-A1 Novel compounds ADRA2C, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HCAR2 ALDH1A1 284/4885LMNA 2362/4885HTT 931/4885

“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.