Sugi Predict

Sugi Predict / Compounds / SCHEMBL947437

SCHEMBL947437

SCHEMBL947437

O=S(O)c1ccc2cc(Cl)ccc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2A6 P11509 1/20 0.46
▸ F11 P03951 1/20 0.37
▸ MAOB P27338 3/20 0.36
▸ ALDH1A1 P00352 3/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ CYP2C9 P11712 2/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ GPR35 Q9HC97 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ HPGD P15428 2/20 0.34
▸ ALOX15 P16050 2/20 0.34
▸ HSD17B10 Q99714 2/20 0.34
▸ ALOX12 P18054 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ DAO P14920 2/20 0.34
▸ F7 P08709 1/20 0.34
▸ F3 P13726 1/20 0.34
▸ AKR1C3 P42330 2/20 0.34
▸ AKR1C2 P52895 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
SCHEMBL15959320 1.00 CYP2A6 (0.46) CYP2A6F11MAOBALDH1A1KDM4E
SCHEMBL5633093 0.98 CYP2A6 (0.45) CYP2A6F11MAOBALDH1A1KDM4E
SCHEMBL16938449 0.78 ALDH1A1 (0.46) CYP2A6ALDH1A1KDM4ECYP1A2HPGD
SCHEMBL29988400 0.78 ALDH1A1 (0.46) CYP2A6ALDH1A1KDM4ECYP1A2HPGD
SCHEMBL664585 0.78 ALDH1A1 (0.46) CYP2A6ALDH1A1KDM4ECYP1A2HPGD
SCHEMBL5633092 0.78 CYP2A6 (0.45) CYP2A6F11MAOBMAPK1DAO
SCHEMBL1827251 0.77 LMNA (0.44) CYP2A6ALDH1A1CYP2C9ALOX15HSD17B10
SCHEMBL3152266 0.77 ALDH1A1 (0.45) CYP2A6ALDH1A1KDM4ECYP1A2HPGD
SCHEMBL1583773 0.77 ALDH1A1 (0.45) CYP2A6ALDH1A1KDM4ECYP1A2HPGD
Ammonia Solution, Strong SCHEMBL3156815 0.77 ALDH1A1 (0.45) CYP2A6ALDH1A1KDM4ECYP1A2HPGD

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-2208726-B1 Cyclic amide derivatives, and their production and use as antithrombotic agents TAKEDA PHARMACEUTICAL (JP) 2014-08-20 — — EP disclosed
US-20110009389-A1 IMIDAZOLE DERIVATIVE, THEIR PRODUCTION AND USE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-01-13 — — US disclosed
WO-2008103354-A2 MODULATORS OF ACETYL-COENZYME A CARBOXYLASE AND METHODS OF USE THEREOF CROPSOLUTION, INC. (US) 2008-08-28 — — WO disclosed
US-20070004736-A1 Imidazole derivative, process for producing the same, and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-01-04 — — US disclosed
EP-1564213-A1 IMIDAZOLE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE Takeda Pharmaceutical Company Limited (JP) 2005-08-17 — — EP disclosed
US-4097669-A FUNGICIDES, BACTERICIDES, INSECTICIDES, ARTHROPODICIDES BAYER AKTIENGESELLSCHAFT (DT) 1978-06-27 — — 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-20070004736-A1 Imidazole derivative, process for producing the same, and use HRH4, F2, HRH2 CYP2A6 655/4885F11 141/4885MAOB 254/4885
US-20110009389-A1 IMIDAZOLE DERIVATIVE, THEIR PRODUCTION AND USE F2, H1-3, CYC1 CYP2A6 736/4885F11 107/4885MAOB 324/4885

“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.