SCHEMBL6313523

SCHEMBL6313523

CC(C)[C@H](NC(=O)c1ccc2ccccc2n1)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.56
RAB9A P51151 5/20 0.56
SMN1; SMN2 Q16637 4/20 0.56
NFKB1 P19838 2/20 0.56
NFKB2 Q00653 2/20 0.56
RELA Q04206 2/20 0.56
ALDH1A1 P00352 4/20 0.55
GAA P10253 2/20 0.55
MAPT P10636 2/20 0.55
KDM4C Q9H3R0 1/20 0.54
MGAM O43451 1/20 0.53
NPC1 O15118 4/20 0.50
HPGD P15428 3/20 0.50
KMT2A Q03164 3/20 0.50
TP53 P04637 2/20 0.50
MEN1 O00255 2/20 0.50
CASP3 P42574 1/20 0.50
SENP8 Q96LD8 1/20 0.50
SENP7 Q9BQF6 1/20 0.50
SENP6 Q9GZR1 1/20 0.50

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
SCHEMBL15459285 1.00 HDAC8 (0.56) HDAC8RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL6446563 1.00 HDAC8 (0.56) HDAC8RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL23722728 0.89 HDAC8 (0.56) HDAC8RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL12043742 0.83 HDAC8 (0.65) HDAC8RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL3491590 0.83 KDM4C (0.49) HDAC8RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL25497204 0.83 RAB9A (0.53) HDAC8RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL31389151 0.83 RAB9A (0.53) HDAC8RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL6446189 0.82 CCR1 (0.53) ALDH1A1GAAMAPTKDM4COPRM1
SCHEMBL10020419 0.82 HDAC8 (0.49) HDAC8RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL20875875 0.81 GAA (0.45) HDAC8RAB9ASMN1; SMN2NFKB1NFKB2

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10975119-B2 Selective cysteine protease inhibitors and uses thereof GENESIS TECHNOLOGIES LIMITED (BB) 2021-04-13 US disclosed
US-20180186833-A1 SELECTIVE CYSTEINE PROTEASE INHIBITORS AND USES THEREOF GENESIS TECH LIMITED (BB) 2018-07-05 US disclosed
US-20180186833-A1 SELECTIVE CYSTEINE PROTEASE INHIBITORS AND USES THEREOF GENESIS TECH LIMITED (BB) 2018-07-05 US disclosed
EP-2670774-A1 CASPASE-2 INHIBITORS Chiesi Farmaceutici S.p.A. (IT) 2013-12-11 EP disclosed
WO-2012104224-A1 CASPASE-2 INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2012-08-09 WO disclosed
US-20120196892-A1 NOVEL CASPASE-2 INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2012-08-02 US disclosed
US-8173600-B2 Caspase-2 inhibitors and their biological applications CHIESI FARMACEUTICI S.P.A. (IT) 2012-05-08 US disclosed
US-8173600-B2 Caspase-2 inhibitors and their biological applications CHIESI FARMACEUTICI S.P.A. (IT) 2012-05-08 US disclosed
US-20080311051-A1 Caspase-2 Inhibitors And Their Biological Applications THERAPTOSIS SA (FR) 2008-12-18 US disclosed
US-20080311051-A1 Caspase-2 Inhibitors And Their Biological Applications THERAPTOSIS SA (FR) 2008-12-18 US disclosed
US-5578608-A HIV PROTEASE INHIBITOR ELI LILLY AND COMPANY (US) 1996-11-26 US disclosed
EP-0521827-B1 Pharmacological active hydrazin derivatives and process for their preparation CIBA GEIGY AG (CH) 1996-09-25 EP disclosed
EP-0604368-B1 Anti retroviral hydrazine derivatives CIBA GEIGY AG (CH) 1996-09-18 EP disclosed
CN-1093701-A Antiretroviral hydrazine derivative CIBA GEIGY AG (CH) 1994-10-19 CN disclosed
EP-0603309-A1 PEPTIDE ISOTERS CONTAINING A HETEROCYCLE AS H.I.V. INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1994-06-29 EP disclosed
EP-0604368-A1 Anti retroviral hydrazine derivatives CIBA-GEIGY AG (CH) 1994-06-29 EP disclosed
EP-0575097-A1 2,3-Bis-carboxamidomethyl substituted oxiranes as inhibitors of HIV protease and their use for the treatment of AIDS ELI LILLY AND COMPANY (US) 1993-12-22 EP disclosed
WO-1993005026-A1 PEPTIDE ISOTERS CONTAINING A HETEROCYCLE AS H.I.V. INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1993-03-18 WO disclosed
WO-1993002674-A1 HIV PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1993-02-18 WO disclosed
EP-0521827-A1 Pharmacological active hydrazin derivatives and process for their preparation CIBA-GEIGY AG (CH) 1993-01-07 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 (4 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-20080311051-A1 Caspase-2 Inhibitors And Their Biological Applications CASP1, CASP2, CASP9 HDAC8 866/4885RAB9A 2956/4885SMN1; SMN2 1558/4885
US-20120196892-A1 NOVEL CASPASE-2 INHIBITORS CASP2, CASP1, CASP9 HDAC8 463/4885RAB9A 3095/4885SMN1; SMN2 128/4885
US-20180186833-A1 SELECTIVE CYSTEINE PROTEASE INHIBITORS AND USES THEREOF SERPINB1, SERPINE1, CASP5 HDAC8 743/4885RAB9A 3004/4885SMN1; SMN2 312/4885
US-10975119-B2 Selective cysteine protease inhibitors and uses thereof SERPINB1, SERPINE1, CASP5 HDAC8 835/4885RAB9A 3024/4885SMN1; SMN2 253/4885

“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.