SCHEMBL3436129

SCHEMBL3436129

CSC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MDM4 O15151 3/20 0.58
TP53 P04637 3/20 0.58
CASP3 P42574 2/20 0.55
SLC17A5 Q9NRA2 1/20 0.55
TLR2 O60603 2/20 0.52
MDM2 Q00987 5/20 0.52
KMT2A Q03164 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
SCHEMBL29400770 1.00 MDM4 (0.58) MDM4TP53CASP3SLC17A5TLR2
SCHEMBL1001473 1.00 MDM4 (0.58) MDM4TP53CASP3SLC17A5TLR2
SCHEMBL19661184 0.92 TLR2 (0.58) MDM4TP53CASP3SLC17A5TLR2
SCHEMBL9288118 0.91 KMT2A (0.51) MDM4TP53CASP3SLC17A5MDM2
SCHEMBL14432835 0.91 MDM4 (0.59) MDM4TP53CASP3SLC17A5TLR2
SCHEMBL14788958 0.91 MDM4 (0.59) MDM4TP53CASP3SLC17A5TLR2
SCHEMBL800305 0.89 FDFT1 (0.57) MDM4TP53CASP3TLR2MDM2
SCHEMBL1486194 0.89 SLC17A5 (0.58) MDM4TP53CASP3SLC17A5TLR2
SCHEMBL4600701 0.89 FDFT1 (0.57) MDM4TP53CASP3TLR2MDM2
SCHEMBL800035 0.89 FDFT1 (0.57) MDM4TP53CASP3TLR2MDM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022234853-A1 CYCLIC COMPOUND HAVING INHIBITORY EFFECT SELECTIVE FOR KRAS BUT NOT FOR HRAS AND NRAS 中外製薬株式会社 2022-11-10 WO disclosed
US-10022422-B2 Peptidomimetic macrocycles Alleron Therapeutics, Inc. (US) 2018-07-17 US disclosed
US-20170296620-A1 BIS-SULFHYDRYL MACROCYCLIZATION SYSTEMS AILERON THERAPEUTICS, INC. 2017-10-19 US disclosed
US-20170266254-A1 PEPTIDOMIMETIC MACROCYCLES AILERON THERAPEUTICS, INC. 2017-09-21 US disclosed
US-20170212125-A1 PEPTIDOMIMETIC MACROCYCLES WITH IMPROVED PROPERTIES AILERON THERAPEUTICS, INC. 2017-07-27 US disclosed
US-9682123-B2 Methods of treating metabolic disease THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2017-06-20 US disclosed
US-9675661-B2 Bis-sulfhydryl macrocyclization systems AILERON THERAPEUTICS, INC. (US) 2017-06-13 US disclosed
US-20170107252-A1 PEPTIDOMIMETIC MACROCYCLES AS MODULATORS OF MCL-1 AILERON THERAPEUTICS, INC. 2017-04-20 US disclosed
US-20170037105-A1 PEPTIDOMIMETIC MACROCYCLES AILERON THERAPEUTICS, INC. 2017-02-09 US disclosed
US-20170002042-A1 PEPTIDOMIMETIC MACROCYCLES AILERON THERAPEUTICS, INC. 2017-01-05 US disclosed
US-20020048763-A1 Human genome-derived single exon nucleic acid probes useful for gene expression analysis AMERSHAM PLC (GB) 2002-04-25 US disclosed
WO-2002026818-A2 HUMAN NEDD-1 AEOMICA, INT. (US) 2002-04-04 WO disclosed
WO-2002024718-A1 COMPOSITIONS AND METHODS RELATING TO PROSTATE SPECIFIC GENES AND PROTEINS DIADEXUS, INC. (US) 2002-03-28 WO disclosed
WO-2002008256-A2 PEPTIDES AS NS3-SERINE PROTEASE INHIBITORS OF HEPATITIS C VIRUS SCHERING CORPORATION (US) 2002-01-31 WO disclosed
EP-0509354-B1 Amino acid derivatives HOFFMANN LA ROCHE (CH) 2000-08-23 EP disclosed
US-5442044-A Hypotensive agents PFIZER INC. (US) 1995-08-15 US disclosed
EP-0661292-A1 Orally active renin inhibitors PFIZER INC. (US) 1995-07-05 EP disclosed
US-5393875-A Hypotensive, cardiotonic and antiischemic agents HOFFMANN-LA ROCHE INC. (US) 1995-02-28 US disclosed
EP-0509354-A2 Amino acid derivatives F. HOFFMANN-LA ROCHE AG (CH) 1992-10-21 EP disclosed
EP-0438233-A2 Orally active renin inhibitors PFIZER INC. (US) 1991-07-24 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 (7 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-20170266254-A1 PEPTIDOMIMETIC MACROCYCLES TCF4, CTNNB1, WNT1 MDM4 190/4885TP53 136/4885CASP3 670/4885
US-20170037105-A1 PEPTIDOMIMETIC MACROCYCLES GHRHR, GHSR, GHITM MDM4 3659/4885TP53 1031/4885CASP3 1672/4885
US-20170296620-A1 BIS-SULFHYDRYL MACROCYCLIZATION SYSTEMS CBS, HLCS, CTH MDM4 3300/4885TP53 1820/4885CASP3 2522/4885
US-20170212125-A1 PEPTIDOMIMETIC MACROCYCLES WITH IMPROVED PROPERTIES VIP, ANPEP, NGLY1 MDM4 1737/4885TP53 763/4885CASP3 1759/4885
US-20170002042-A1 PEPTIDOMIMETIC MACROCYCLES ZC3HAV1, HAVCR2, ZC3HAV1L MDM4 1599/4885TP53 542/4885CASP3 1181/4885
US-10022422-B2 Peptidomimetic macrocycles HAVCR2, ZC3HAV1, ZC3HAV1L MDM4 1962/4885TP53 591/4885CASP3 1057/4885
US-20170107252-A1 PEPTIDOMIMETIC MACROCYCLES AS MODULATORS OF MCL-1 MCL1, BCL2L1, BCL2L11 MDM4 1093/4885TP53 95/4885CASP3 47/4885

“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.