SCHEMBL21155778

SCHEMBL21155778

CC(C)c1ccc(SS)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 2/20 0.41
HTT P42858 2/20 0.38
MCL1 Q07820 2/20 0.38
BCL2 P10415 1/20 0.38
DDB1 Q16531 1/20 0.37
CRBN Q96SW2 1/20 0.37
IDO1 P14902 2/20 0.37
ALDH1A1 P00352 2/20 0.37
HIF1A Q16665 2/20 0.37
GAA P10253 1/20 0.37
ALOX12 P18054 1/20 0.37
LMNA P02545 3/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MGLL Q99685 1/20 0.35
MAPT P10636 1/20 0.35
PKM P14618 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CYP2C9 P11712 2/20 0.34
CYP2D6 P10635 1/20 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
SCHEMBL18735962 0.79 HTT (0.43) TYRHTTMCL1BCL2DDB1
SCHEMBL944020 0.78 TYR (0.44) TYRHTTMCL1BCL2DDB1
SCHEMBL2279013 0.78 MCL1 (0.53) TYRHTTMCL1BCL2DDB1
SCHEMBL27772709 0.76 TYR (0.52) TYRHTTIDO1ALDH1A1HIF1A
SCHEMBL104124 0.76 TYR (0.58) TYRHTTIDO1ALDH1A1HIF1A
SCHEMBL4556108 0.76 SLC6A4 (0.52) TYRHTTALDH1A1
SCHEMBL10012057 0.76 HTT (0.44) TYRHTTMCL1BCL2DDB1
SCHEMBL6366693 0.74 HTT (0.43) TYRHTTMCL1BCL2DDB1
SCHEMBL18400183 0.74 TYR (0.41) TYRHTTIDO1ALDH1A1HIF1A
SCHEMBL11312641 0.74 TYR (0.41) TYRHTTMCL1BCL2DDB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116657163-A Method for dithioating o-dihalogenated aromatic hydrocarbon 河南大学 2023-08-29 CN disclosed
US-10934295-B2 Antimicrobials and methods of making and using same BioVersys AG (CH) 2021-03-02 US disclosed
US-20190211018-A1 ANTIMICROBIALS AND METHODS OF MAKING AND USING SAME RIB-X PHARMACEUTICALS, INC. 2019-07-11 US disclosed
CN-107620088-B A kind of method of electrochemical catalytic oxidation synthesis 3- sulfydryl indole class compound 浙江工业大学 2019-05-07 CN disclosed
CN-107620088-A A kind of method that electrochemical catalytic oxidation synthesizes 3 sulfydryl indole class compounds 浙江工业大学 2018-01-23 CN 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-10934295-B2 Antimicrobials and methods of making and using same LPO, MPO, OAT TYR 35/4885HTT 775/4885MCL1 505/4885
US-20190211018-A1 ANTIMICROBIALS AND METHODS OF MAKING AND USING SAME LPO, MPO, OAT TYR 35/4885HTT 775/4885MCL1 505/4885

“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.