SCHEMBL20233522

SCHEMBL20233522

CC(C)(C)C(=O)NCc1cc[nH]c1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 1/20 0.51
▸ CA1 P00915 1/20 0.50
▸ CA2 P00918 1/20 0.50
▸ CA7 P43166 1/20 0.50
▸ CA14 Q9ULX7 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ RIPK1 Q13546 1/20 0.42
▸ CAPN1 P07384 1/20 0.42
▸ PTGES O14684 5/20 0.41
▸ POLB P06746 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ MMP8 P22894 1/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ SMO Q99835 1/20 0.37
▸ OPRK1 P41145 1/20 0.37

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
SCHEMBL23048458 0.80 KMT2A (0.50) HDAC6CAPN1POLBMAPT
SCHEMBL30663813 0.78 CAPN1 (0.47) SMN1; SMN2CAPN1
SCHEMBL1516186 0.74 RIPK1 (0.71) HDAC6CA1CA2CA7CA14
SCHEMBL14253969 0.73 HDAC6 (0.65) HDAC6CA1CA2CA7CA14
SCHEMBL18697441 0.73 HDAC6 (0.56) HDAC6CA1CA2CA7CA14
Hydrochloric Acid SCHEMBL27727124 0.72 CAPN1 (0.42) SMN1; SMN2CAPN1
SCHEMBL1709264 0.71 MEN1 (0.63) HDAC6CA1CA2CA7CA14
SCHEMBL1709279 0.71 RAB9A (0.63) HDAC6CA1CA2CA7CA14
SCHEMBL29037519 0.71 HDAC6 (0.68) HDAC6CA1CA2CA7CA14
SCHEMBL6922051 0.71 CA1 (0.66) HDAC6CA1CA2CA7CA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10173980-B2 Mixed disulfide conjugates of thienopyridine compounds and uses thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2019-01-08 — — US disclosed
US-20180155289-A1 MIXED DISULFIDE CONJUGATES OF THIENOPYRIDINE COMPOUNDS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2018-06-07 — — 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 (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-10173980-B2 Mixed disulfide conjugates of thienopyridine compounds and uses thereof TST, TXN, TXNRD2 HDAC6 281/4885CA1 3057/4885CA2 2384/4885
US-20180155289-A1 MIXED DISULFIDE CONJUGATES OF THIENOPYRIDINE COMPOUNDS AND USES THEREOF TST, TXN, TXNRD2 HDAC6 281/4885CA1 3057/4885CA2 2384/4885

“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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