SCHEMBL6402844

SCHEMBL6402844

CC(CCC(=O)O)CNC(=O)c1ccc(N(C)C)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 11/20 0.50
HDAC6 Q9UBN7 11/20 0.50
HDAC10 Q969S8 9/20 0.50
HDAC8 Q9BY41 8/20 0.50
HDAC2 Q92769 7/20 0.50
HDAC3 O15379 5/20 0.50
HDAC4 P56524 5/20 0.50
HDAC7 Q8WUI4 5/20 0.50
HDAC11 Q96DB2 5/20 0.50
HDAC9 Q9UKV0 5/20 0.50
HDAC5 Q9UQL6 5/20 0.50
LTA4H P09960 1/20 0.50
GAA P10253 1/20 0.48
ALDH1A1 P00352 2/20 0.48
HTT P42858 2/20 0.48
KDM4E B2RXH2 1/20 0.48
HPGD P15428 1/20 0.47
RAB9A P51151 1/20 0.47
KMT2A Q03164 1/20 0.45
MAPT P10636 1/20 0.45

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
SCHEMBL29009589 0.76 CA2 (0.61) HDAC1HDAC6HDAC10HDAC8HDAC2
SCHEMBL29009588 0.76 CA2 (0.61) HDAC1HDAC6HDAC10HDAC8HDAC2
SCHEMBL3384161 0.76 HDAC1 (0.67) HDAC1HDAC6HDAC10HDAC8HDAC2
SCHEMBL11246236 0.76 KDM4E (0.61) HDAC1HDAC6HDAC10HDAC8HDAC2
SCHEMBL2472647 0.75 MAPK1 (0.73) HDAC1HDAC6HDAC10HDAC8HDAC2
SCHEMBL1233252 0.74 MAPK1 (0.77) HDAC1HDAC6HDAC10HDAC8HDAC2
SCHEMBL4794972 0.74 ATM (0.63) HDAC6HDAC8GAAALDH1A1RAB9A
SCHEMBL2137927 0.74 ALDH1A1 (0.52) HDAC1HDAC6HDAC10HDAC8HDAC2
SCHEMBL22015906 0.73 HDAC1 (0.71) HDAC1HDAC6HDAC10HDAC8HDAC2
SCHEMBL13753321 0.72 ALDH1A1 (0.61) HDAC1HDAC6HDAC10HDAC8HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 HDAC1 538/4885HDAC6 155/4885HDAC10 1120/4885

“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.