SCHEMBL13610325

SCHEMBL13610325

COc1ccc(CSSSc2ccc(C(F)(F)F)cn2)cc1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.40
LIPE Q05469 1/20 0.39
NPBWR1 P48145 1/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
FABP3 P05413 1/20 0.37
FABP4 P15090 1/20 0.37
MAPT P10636 1/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
PKM P14618 1/20 0.36
LMNA P02545 2/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL13610381 0.88 PPARD (0.39) MAPTRAB9AKDM4EALDH1A1PKM
SCHEMBL13610360 0.84 MAPT (0.40) MEN1KMT2AMAPTRAB9AKDM4E
SCHEMBL13610393 0.77 RAB9A (0.43) RAB9AALDH1A1
SCHEMBL13610462 0.76 CXCR2 (0.41) MAPTRAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL13610441 0.74 HSD17B3 (0.34) MEN1KMT2AMAPTRAB9AKDM4E
SCHEMBL13610501 0.72 PIEZO1 (0.36) MAPTRAB9AKDM4EALDH1A1PKM
SCHEMBL13610483 0.72 RAB9A (0.50) MEN1KMT2AMAPTRAB9ASMN1; SMN2
SCHEMBL25325181 0.71 RAB9A (0.51) KMT2ARAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL16838859 0.70 LIPE (0.55) LIPEMAPTSMN1; SMN2LMNATSHR
SCHEMBL13610313 0.70 APP (0.53) MEN1KMT2ARAB9ASMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1742635-B1 SUBSTITUTED ORGANOSULFUR COMPOUNDS AND METHODS OF USING THEREOF ACEA BIOSCIENCES INC (US) 2018-03-07 EP disclosed
US-8334316-B2 Substituted organosulfur compounds and methods of using thereof ACEA BIOSCIENCES, INC. (US) 2012-12-18 US disclosed
US-8334316-B2 Substituted organosulfur compounds and methods of using thereof ACEA BIOSCIENCES, INC. (US) 2012-12-18 US disclosed
US-7622507-B2 Substituted organosulfur compounds and methods of using thereof ACEA BIOSCIENCES INC. (US) 2009-11-24 US disclosed
US-7622507-B2 Substituted organosulfur compounds and methods of using thereof ACEA BIOSCIENCES INC. (US) 2009-11-24 US disclosed
US-20090192146-A1 SUBSTITUTED ORGANOSULFUR COMPOUNDS AND METHODS OF USING THEREOF ACEA BIOSCIENCES, INC. (US) 2009-07-30 US disclosed
US-20090192146-A1 SUBSTITUTED ORGANOSULFUR COMPOUNDS AND METHODS OF USING THEREOF ACEA BIOSCIENCES, INC. (US) 2009-07-30 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-20090192146-A1 SUBSTITUTED ORGANOSULFUR COMPOUNDS AND METHODS OF USING THEREOF TST, CTH, CBS AHR 710/4885LIPE 3775/4885NPBWR1 4369/4885

“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.