SCHEMBL4993796

SCHEMBL4993796

O=C(NCCS)NCCS

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 2/20 0.42
EPHX1 P07099 6/20 0.42
HDAC3 O15379 8/20 0.40
HDAC4 P56524 8/20 0.40
HDAC1 Q13547 8/20 0.40
HDAC7 Q8WUI4 8/20 0.40
HDAC2 Q92769 8/20 0.40
HDAC10 Q969S8 8/20 0.40
HDAC11 Q96DB2 8/20 0.40
HDAC8 Q9BY41 8/20 0.40
HDAC6 Q9UBN7 8/20 0.40
HDAC9 Q9UKV0 8/20 0.40
HDAC5 Q9UQL6 8/20 0.40
PRMT1 Q99873 1/20 0.40
EPHX2 P34913 1/20 0.33

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
SCHEMBL6285525 0.87
SCHEMBL19003867 0.87 EPHX1 (0.58) EPHX1EPHX2
SCHEMBL9856907 0.87 GAA (0.39) FBP1EPHX1HDAC3HDAC4HDAC1
SCHEMBL6289555 0.83
SCHEMBL6290290 0.83 EPHX1 (0.68) EPHX1EPHX2
SCHEMBL22563618 0.81 EPHX1 (0.58) FBP1EPHX1
SCHEMBL4987372 0.80 HDAC1 (0.56) FBP1HDAC3HDAC4HDAC1HDAC7
SCHEMBL878213 0.78
SCHEMBL8906627 0.78 HDAC3 (0.57) FBP1HDAC3HDAC4HDAC1HDAC7
SCHEMBL11258829 0.77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080138309-A1 Use Of Aminodithiol As A Reducing Agent For Hair Perming L'OREAL S.A. (FR) 2008-06-12 US claimed
US-11267838-B2 Methods for lignin depolymerization using thiols BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY (US) 2022-03-08 US disclosed
US-20200048292-A1 METHODS FOR LIGNIN DEPOLYMERIZATION USING THIOLS UNITED STATES DEPARTMENT OF ENERGY 2020-02-13 US disclosed
US-20080138309-A1 Use Of Aminodithiol As A Reducing Agent For Hair Perming L'OREAL S.A. (FR) 2008-06-12 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 (3 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-11267838-B2 Methods for lignin depolymerization using thiols DCXR, GLO1, LOX FBP1 2046/4885EPHX1 2429/4885HDAC3 1952/4885
US-20080138309-A1 Use Of Aminodithiol As A Reducing Agent For Hair Perming AASDHPPT, BHMT2, ALAD FBP1 2226/4885EPHX1 2110/4885HDAC3 3900/4885
US-20200048292-A1 METHODS FOR LIGNIN DEPOLYMERIZATION USING THIOLS DCXR, GLO1, LOX FBP1 2046/4885EPHX1 2429/4885HDAC3 1952/4885

“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.