SCHEMBL15020369

SCHEMBL15020369

Cc1ccc(N[SH](=O)=O)c(C)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.50
▸ MEN1 O00255 3/20 0.50
▸ KMT2A Q03164 3/20 0.50
▸ RAPGEF4 Q8WZA2 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ HDAC3 O15379 1/20 0.41
▸ HDAC4 P56524 1/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ HDAC7 Q8WUI4 1/20 0.41
▸ HDAC2 Q92769 1/20 0.41
▸ HDAC10 Q969S8 1/20 0.41
▸ HDAC11 Q96DB2 1/20 0.41
▸ HDAC8 Q9BY41 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41
▸ HDAC9 Q9UKV0 1/20 0.41
▸ HDAC5 Q9UQL6 1/20 0.41
▸ FKBP1A P62942 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41

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
SCHEMBL15919625 0.83 GAA (0.50) MEN1KMT2ARAPGEF4ALDH1A1HTT
SCHEMBL15176963 0.79 NOX1 (0.49) SMN1; SMN2MEN1KMT2AALDH1A1NPC1
SCHEMBL15087203 0.79 MAPT (0.47) SMN1; SMN2MEN1KMT2AALDH1A1LMNA
SCHEMBL27662278 0.79 MAP2K2 (0.39) SMN1; SMN2MEN1KMT2ARAPGEF4HDAC1
SCHEMBL31527731 0.78 MAPT (0.41) SMN1; SMN2MEN1KMT2AALDH1A1HTT
SCHEMBL31527687 0.78 NOX1 (0.47) SMN1; SMN2MEN1KMT2AALDH1A1NPC1
SCHEMBL31527801 0.78 RAB9A (0.45) SMN1; SMN2MEN1KMT2AALDH1A1HTT
SCHEMBL28218285 0.76 ACHE (0.50) SMN1; SMN2MEN1KMT2AALDH1A1NPC1
SCHEMBL15087313 0.75 LOXL2 (0.33) SMN1; SMN2MEN1KMT2ARAPGEF4ALDH1A1
SCHEMBL31527681 0.75 GAA (0.51) MEN1KMT2AALDH1A1NPC1RAB9A

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
US-20180148408-A1 DIRECT INHIBITORS OF KEAP1-NRF2 INTERACTION AS ANTIOXIDANT INFLAMMATION MODULATORS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2018-05-31 — — US disclosed
US-8961621-B2 Azo dyes HUNTSMAN INTERNATIONAL LLC (US) 2015-02-24 — — US disclosed
EP-2791249-A2 AZO DYES Huntsman Advanced Materials (Switzerland) GmbH (CH) 2014-10-22 — — EP disclosed
US-20140304926-A1 Azo Dyes HUNTSMAN INTERNATIONAL LLC 2014-10-16 — — US disclosed
US-20140256767-A1 DIRECT INHIBITORS OF KEAP1-NRF2 INTERACTION AS ANTIOXIDANT INFLAMMATION MODULATORS THE BROAD INSTITUTE, INC. (US) 2014-09-11 — — US disclosed
WO-2013087400-A2 AZO DYES HUNTSMAN ADVANCED MATERIALS (SWITZERLAND) GMBH (CH) 2013-06-20 — — WO 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-20180148408-A1 DIRECT INHIBITORS OF KEAP1-NRF2 INTERACTION AS ANTIOXIDANT INFLAMMATION MODULATORS KEAP1, NFE2L2, HMOX1 SMN1; SMN2 2916/4885MEN1 4000/4885KMT2A 2469/4885
US-20140256767-A1 DIRECT INHIBITORS OF KEAP1-NRF2 INTERACTION AS ANTIOXIDANT INFLAMMATION MODULATORS KEAP1, NFE2L2, HMOX1 SMN1; SMN2 2916/4885MEN1 4000/4885KMT2A 2469/4885

“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.

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