SCHEMBL6403296

SCHEMBL6403296

COc1ccc(NS(=O)(=O)c2cc(-c3csc(Nc4cccnc4)n3)ccc2C(=O)N[C@@H](CC(C)C)C(=O)NCCCCCCNC(=O)OCc2ccccc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 4/20 0.44
HDAC4 P56524 4/20 0.44
HDAC1 Q13547 4/20 0.44
HDAC7 Q8WUI4 4/20 0.44
HDAC2 Q92769 4/20 0.44
HDAC10 Q969S8 4/20 0.44
HDAC11 Q96DB2 4/20 0.44
HDAC8 Q9BY41 4/20 0.44
HDAC6 Q9UBN7 4/20 0.44
HDAC9 Q9UKV0 4/20 0.44
HDAC5 Q9UQL6 4/20 0.44
CTSK P43235 8/20 0.44
CTSS P25774 6/20 0.44
CTSL P07711 2/20 0.44
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
MAPT P10636 2/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
ALOX12 P18054 1/20 0.42

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
SCHEMBL6404090 0.74 MEN1 (0.47) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6401544 0.71 MEN1 (0.48) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL6404582 0.69 MEN1 (0.49) CTSKCTSSCTSLMEN1KMT2A
SCHEMBL7258237 0.69 MEN1 (0.47) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7256300 0.67 MEN1 (0.47) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6401550 0.67 MEN1 (0.47) HDAC3HDAC4HDAC1HDAC7HDAC2
Hydrochloric Acid SCHEMBL6400682 0.65 MAPT (0.59) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL206542 0.63 MEN1 (0.78) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL10430509 0.62 CAPN1 (0.66) CTSKCTSSCTSLMEN1KMT2A
SCHEMBL8116612 0.62 HDAC6 (1.00) HDAC3HDAC4HDAC1HDAC7HDAC2

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-20050142373-A1 Oxygen-absorbing resin composition and laminate TOYO SEIKAN KAISHA, LTD. (JP) 2005-06-30 US disclosed
US-6900237-B2 Sulfonamide compounds as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2005-05-31 US disclosed
US-20030158231-A1 Sulfonamide compounds as protease inhibitors Celera Corporation 2003-08-21 US disclosed
WO-2003024923-A1 SULFONAMIDE COMPOUNDS AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2003-03-27 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 (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-20030158231-A1 Sulfonamide compounds as protease inhibitors PRSS1, PRSS3, SPINT2 HDAC3 434/4885HDAC4 659/4885HDAC1 538/4885

“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.