Sugi Predict

Sugi Predict / Compounds / SCHEMBL935086

SCHEMBL935086

SCHEMBL935086

O=S(=O)(Cl)c1ccc(CCC(C2CCCCC2)C2CCCCC2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.39
▸ PPARG P37231 3/20 0.37
▸ ALDH1A1 P00352 5/20 0.36
▸ EPHX1 P07099 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ CYP1A2 P05177 2/20 0.34
▸ CYP3A4 P08684 2/20 0.34
▸ CYP2D6 P10635 2/20 0.34
▸ CYP2C9 P11712 2/20 0.34
▸ CYP2C19 P33261 2/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ GAA P10253 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ RECQL P46063 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ KCNH2 Q12809 2/20 0.34

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
SCHEMBL12453120 0.85 EPHX1 (0.50) ATMEPHX1CYP1A2CYP3A4CYP2D6
SCHEMBL12453117 0.85 ATM (0.41) ATMPPARGALDH1A1EPHX1POLB
SCHEMBL12522826 0.80 HTT (0.37) ATMALDH1A1EPHX1CYP1A2CYP3A4
SCHEMBL8464214 0.79 EPHX1 (0.47) PPARGALDH1A1EPHX1POLBCYP3A4
SCHEMBL12453154 0.78 EPHX1 (0.34) ATMALDH1A1EPHX1CYP1A2CYP3A4
SCHEMBL934408 0.76 CEL (0.42) ATMPPARGCYP3A4MEN1KMT2A
SCHEMBL8040937 0.76 MEN1 (0.39) ALDH1A1EPHX1CYP1A2CYP3A4CYP2D6
SCHEMBL8042890 0.76 HRH3 (0.45) ALDH1A1EPHX1CYP1A2CYP3A4CYP2D6
SCHEMBL28898677 0.76 EPHX1 (0.36) ALDH1A1EPHX1CYP1A2CYP2D6CYP2C9
SCHEMBL8040010 0.76 ALDH1A1 (0.42) ALDH1A1EPHX1POLBLMNASMN1; SMN2

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
US-20120238740-A1 NON-POLAR AND POLAR LEAVING GROUPS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-09-20 — — US disclosed
US-20120238740-A1 NON-POLAR AND POLAR LEAVING GROUPS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-09-20 — — US disclosed
US-20120238740-A1 NON-POLAR AND POLAR LEAVING GROUPS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-09-20 — — US disclosed
EP-2454216-A1 NON-POLAR AND POLAR LEAVING GROUPS Bayer Pharma Aktiengesellschaft (DE) 2012-05-23 — — EP disclosed
WO-2011006610-A1 NON-POLAR AND POLAR LEAVING GROUPS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-01-20 — — WO disclosed
WO-2011006610-A1 NON-POLAR AND POLAR LEAVING GROUPS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-01-20 — — 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-20120238740-A1 NON-POLAR AND POLAR LEAVING GROUPS PGLS, RABGGTB, LNPEP ATM 4782/4885PPARG 2548/4885ALDH1A1 2845/4885

“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.