SCHEMBL8468644

SCHEMBL8468644

O=C(Cl)/C=C/c1ccn(S(=O)(=O)c2ccc(-c3ccccn3)s2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP8 P22894 2/20 0.45
▸ MMP3 P08254 2/20 0.45
▸ ALDH1A1 P00352 1/20 0.44
▸ MMP1 P03956 1/20 0.43
▸ MMP2 P08253 1/20 0.43
▸ MMP7 P09237 1/20 0.43
▸ PFKFB3 Q16875 1/20 0.40
▸ PKM P14618 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.37
▸ HDAC3 O15379 1/20 0.37
▸ HDAC4 P56524 1/20 0.37
▸ HDAC1 Q13547 1/20 0.37
▸ HDAC7 Q8WUI4 1/20 0.37
▸ HDAC2 Q92769 1/20 0.37
▸ HDAC10 Q969S8 1/20 0.37
▸ HDAC11 Q96DB2 1/20 0.37
▸ HDAC8 Q9BY41 1/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.37
▸ HDAC9 Q9UKV0 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
Hydrochloric Acid SCHEMBL1890106 0.99 MMP8 (0.44) MMP8MMP3ALDH1A1MMP1MMP2
Hydrochloric Acid SCHEMBL1890104 0.99 MMP8 (0.44) MMP8MMP3ALDH1A1MMP1MMP2
SCHEMBL297821 0.91 MMP8 (0.46) MMP8MMP3ALDH1A1MMP1MMP2
SCHEMBL297820 0.91 MMP8 (0.46) MMP8MMP3ALDH1A1MMP1MMP2
Hydrochloric Acid SCHEMBL1895243 0.90 MMP8 (0.45) MMP8MMP3ALDH1A1MMP1MMP2
Hydrochloric Acid SCHEMBL1895224 0.90 MMP8 (0.45) MMP8MMP3ALDH1A1MMP1MMP2
SCHEMBL296254 0.89 MMP3 (0.47) MMP8MMP3ALDH1A1MMP1MMP2
SCHEMBL296253 0.89 MMP3 (0.47) MMP8MMP3ALDH1A1MMP1MMP2
Hydrochloric Acid SCHEMBL4452524 0.88 HDAC1 (0.46) MMP8MMP3ALDH1A1MMP1MMP2
Hydrochloric Acid SCHEMBL4452530 0.88 HDAC1 (0.46) MMP8MMP3ALDH1A1MMP1MMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8785659-B2 Method for the production of sulphonylpyrroles as HDAC inhibitors 4SC AG (DE) 2014-07-22 — — US disclosed
US-8785659-B2 Method for the production of sulphonylpyrroles as HDAC inhibitors 4SC AG (DE) 2014-07-22 — — US disclosed
EP-2265580-B1 NOVEL METHOD FOR THE PRODUCTION OF SULPHONYLPYRROLES AS HDAC INHIBITORS 4SC AG (DE) 2011-08-10 — — EP disclosed
US-20110105568-A1 NOVEL METHOD FOR THE PRODUCTION OF SULPHONYLPYRROLES AS HDAC INHIBITORS 4SC AG (DE) 2011-05-05 — — US disclosed
US-20110105568-A1 NOVEL METHOD FOR THE PRODUCTION OF SULPHONYLPYRROLES AS HDAC INHIBITORS 4SC AG (DE) 2011-05-05 — — US disclosed
WO-2009112529-A1 NOVEL METHOD FOR THE PRODUCTION OF SULPHONYLPYRROLES AS HDAC INHIBITORS 4SC AG (DE) 2009-09-17 — — WO disclosed
EP-2100878-A1 Novel method for the production of sulphonylpyrroles as HDAC inhibitors 4SC AG (DE) 2009-09-16 — — 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 (1 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-20110105568-A1 NOVEL METHOD FOR THE PRODUCTION OF SULPHONYLPYRROLES AS HDAC INHIBITORS HDAC1, HDAC2, HDAC3 MMP8 3535/4885MMP3 2777/4885ALDH1A1 270/4885

“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.

Send feedback