SCHEMBL6986236

SCHEMBL6986236

CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)NC1=O

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 4/20 0.50
HDAC1 Q13547 4/20 0.50
HDAC2 Q92769 4/20 0.50
HDAC10 Q969S8 4/20 0.50
HDAC11 Q96DB2 4/20 0.50
NCOR1 O75376 2/20 0.50
HDAC4 P56524 2/20 0.50
HDAC7 Q8WUI4 2/20 0.50
HDAC8 Q9BY41 2/20 0.50
HDAC6 Q9UBN7 2/20 0.50
HDAC9 Q9UKV0 2/20 0.50
HDAC5 Q9UQL6 2/20 0.50
MLNR O43193 1/20 0.49
ITGB1 P05556 6/20 0.49
ITGA4 P13612 6/20 0.49
ITGB2 P05107 5/20 0.49
ITGA1 P56199 4/20 0.49
ITGB7 P26010 3/20 0.49
GABRA4 P48169 3/20 0.49
ITGA5 P08648 2/20 0.49

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
SCHEMBL6989670 1.00 HDAC3 (0.50) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL30174305 1.00 HDAC3 (0.50) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL29601701 1.00 HDAC3 (0.50) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL29601883 1.00 HDAC3 (0.50) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL25310386 0.93 HDAC3 (0.55) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL162018 0.93 HDAC3 (0.55) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL29602402 0.93 HDAC3 (0.55) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL29601720 0.93 HDAC3 (0.55) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL17867151 0.91 GAA (0.51) HDAC8
SCHEMBL3124456 0.91 GAA (0.51) HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12600725-B2 Selective GRP94 inhibitors and uses thereof MEMORIAL SLOAN-KETTERING CANCER CENTER (US) 2026-04-14 US disclosed
US-20230123747-A1 SELECTIVE GRP94 INHIBITORS AND USES THEREOF MEMORIAL SLOAN KETTERING CANCER CENTER (US) 2023-04-20 US disclosed
US-11267816-B2 Selective Grp94 inhibitors and uses thereof MEMORIAL SLOAN-KETTERING CANCER CENTER (US) 2022-03-08 US disclosed
US-8492345-B2 Cyclic peptide antitumor agents NORTHWESTERN UNIVERSITY (US) 2013-07-23 US disclosed
US-8492345-B2 Cyclic peptide antitumor agents NORTHWESTERN UNIVERSITY (US) 2013-07-23 US disclosed
US-20120122799-A1 CYCLIC PEPTIDE ANTITUMOR AGENTS NORTHWESTERN UNIVERSITY (US) 2012-05-17 US disclosed
US-8058244-B2 Cyclic peptide antitumor agents NORTHWESTERN UNIVERSITY (US) 2011-11-15 US disclosed
US-8058244-B2 Cyclic peptide antitumor agents NORTHWESTERN UNIVERSITY (US) 2011-11-15 US disclosed
US-20100204088-A1 Cyclic Peptide Antitumor Agents SILVERMAN RICHARD B 2010-08-12 US disclosed
US-20100204088-A1 Cyclic Peptide Antitumor Agents SILVERMAN RICHARD B 2010-08-12 US disclosed
US-7709443-B2 For treatment of human melanoma, pancreatic, breast, prostate cancer cells NORTHWESTERN UNIVERSITY (US) 2010-05-04 US disclosed
US-7709443-B2 For treatment of human melanoma, pancreatic, breast, prostate cancer cells NORTHWESTERN UNIVERSITY (US) 2010-05-04 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 (5 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-20100204088-A1 Cyclic Peptide Antitumor Agents VIP, IAPP, NGLY1 HDAC3 3132/4885HDAC1 1488/4885HDAC2 3800/4885
US-20120122799-A1 CYCLIC PEPTIDE ANTITUMOR AGENTS VIP, IAPP, NGLY1 HDAC3 3132/4885HDAC1 1488/4885HDAC2 3800/4885
US-11267816-B2 Selective Grp94 inhibitors and uses thereof HSP90B1, HSP90AB2P, HSPE1 HDAC3 3072/4885HDAC1 2595/4885HDAC2 3178/4885
US-12600725-B2 Selective GRP94 inhibitors and uses thereof GRPR, HSPB1, HSP90AB2P HDAC3 1475/4885HDAC1 1787/4885HDAC2 1419/4885
US-20230123747-A1 SELECTIVE GRP94 INHIBITORS AND USES THEREOF HSP90B1, HSP90AB2P, HSPE1 HDAC3 3072/4885HDAC1 2595/4885HDAC2 3178/4885

“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.