SCHEMBL3025339

SCHEMBL3025339

O=C(CCCS)NCCNC(=O)CCCS

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 8/20 0.47
HDAC1 Q13547 8/20 0.47
HDAC2 Q92769 8/20 0.47
HDAC10 Q969S8 8/20 0.47
HDAC11 Q96DB2 8/20 0.47
HDAC8 Q9BY41 8/20 0.47
HDAC6 Q9UBN7 8/20 0.47
HDAC4 P56524 7/20 0.47
HDAC7 Q8WUI4 7/20 0.47
HDAC9 Q9UKV0 7/20 0.47
HDAC5 Q9UQL6 7/20 0.47
TSHR P16473 1/20 0.45
DNM1 Q05193 2/20 0.44
ALDH1A1 P00352 1/20 0.43
FAAH O00519 3/20 0.42
CASP2 P42575 1/20 0.41
FOLH1 Q04609 1/20 0.40

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
SCHEMBL929719 0.92 HDAC3 (0.55) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL930496 0.92 TSHR (0.48) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL4633503 0.90 HDAC3 (0.49) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL9649999 0.88 CNR1 (0.47) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL12605287 0.86 CNR1 (0.47) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL12231859 0.86 HDAC3 (0.42) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL24855609 0.85 HDAC3 (0.49) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL929190 0.85 HDAC3 (0.58) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL13317011 0.84 CASP2 (0.59) TSHRDNM1FAAHCASP2
SCHEMBL12231862 0.84 TSHR (0.47) HDAC3HDAC1HDAC2HDAC10HDAC11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100209373-A1 DITHIOLS AND USE THEREOF FOR STRENGTHENING THE HAIR L'OREAL S.A. (FR) 2010-08-19 US claimed
US-20050019290-A1 Dithiols and use thereof for strengthening the hair L'OREAL S.A. (FR) 2005-01-27 US claimed
US-20050002886-A1 Dithiols comprising at least one amide functional group and their use in transforming the shape of the hair L'OREAL S.A. (FR) 2005-01-06 US claimed
EP-1477158-A1 Dithiols and their use to strenghten the hair L'OREAL (FR) 2004-11-17 EP claimed
US-20100209373-A1 DITHIOLS AND USE THEREOF FOR STRENGTHENING THE HAIR L'OREAL S.A. (FR) 2010-08-19 US disclosed
US-20100209373-A1 DITHIOLS AND USE THEREOF FOR STRENGTHENING THE HAIR L'OREAL S.A. (FR) 2010-08-19 US disclosed
US-20100209373-A1 DITHIOLS AND USE THEREOF FOR STRENGTHENING THE HAIR L'OREAL S.A. (FR) 2010-08-19 US disclosed
US-20050019290-A1 Dithiols and use thereof for strengthening the hair L'OREAL S.A. (FR) 2005-01-27 US disclosed
US-20050002886-A1 Dithiols comprising at least one amide functional group and their use in transforming the shape of the hair L'OREAL S.A. (FR) 2005-01-06 US disclosed
EP-1477158-A1 Dithiols and their use to strenghten the hair L'OREAL (FR) 2004-11-17 EP 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-20100209373-A1 DITHIOLS AND USE THEREOF FOR STRENGTHENING THE HAIR KRT18, DSG1, DSP HDAC3 2687/4885HDAC1 1927/4885HDAC2 2706/4885
US-20050002886-A1 Dithiols comprising at least one amide functional group and their use in transforming the shape of the hair TST, KRT18, DLAT HDAC3 666/4885HDAC1 234/4885HDAC2 581/4885
US-20050019290-A1 Dithiols and use thereof for strengthening the hair KRT18, DSG1, DSP HDAC3 2687/4885HDAC1 1927/4885HDAC2 2706/4885

“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.