SCHEMBL4359032

SCHEMBL4359032

CCC(=O)Nc1ccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccc([N+](=O)[O-])cc2)C(=O)OC)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR3 P32745 1/20 0.57
RAB9A P51151 2/20 0.53
NPC1 O15118 1/20 0.53
TP53 P04637 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
GAA P10253 1/20 0.52
BACE1 P56817 1/20 0.50
MAPT P10636 2/20 0.48
ALDH1A1 P00352 1/20 0.48
CA2 P00918 1/20 0.48
POLB P06746 1/20 0.47
LMNA P02545 1/20 0.47
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC8 Q9BY41 1/20 0.47

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
SCHEMBL4368412 0.91 GAA (0.62) RAB9AGAAALDH1A1CA2POLB
SCHEMBL4360114 0.90 GAA (0.58) RAB9AGAAALDH1A1CA2POLB
SCHEMBL4368609 0.89 RAB9A (0.60) SSTR3RAB9ANPC1TP53SMN1; SMN2
SCHEMBL4362723 0.88 ALDH1A1 (0.59) SSTR3RAB9ANPC1TP53SMN1; SMN2
SCHEMBL4362376 0.87 GAA (0.56) RAB9AGAAMAPTALDH1A1CA2
SCHEMBL4356215 0.87 RAB9A (0.58) SSTR3RAB9ANPC1TP53SMN1; SMN2
SCHEMBL28604598 0.86 RAB9A (0.70) RAB9ANPC1TP53SMN1; SMN2GAA
SCHEMBL4359066 0.84 ALDH1A1 (0.58) RAB9ANPC1TP53SMN1; SMN2GAA
SCHEMBL28392944 0.83 CA2 (0.53) SSTR3RAB9ANPC1TP53SMN1; SMN2
SCHEMBL28392947 0.83 CA2 (0.53) SSTR3RAB9ANPC1TP53SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090247470-A1 PHENYLALANINE DIPEPTIDE DERIVATIVES, COMPOSITIONS AND USE THEREOF The Key Lab. Of Chemistry for Natural Products of Guizhou Province and Chinese Acad. of Sciences (CN) 2009-10-01 US claimed
EP-2036895-A1 HSP90 INHIBITOR CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2009-03-18 EP claimed
US-9023809-B2 Phenylalanine dipeptide derivatives, compositions and use thereof THE KEY LABORATORY OF CHEMISTRY FOR NATURAL PRODUCTS OF GUIZHOU PROVINCE AND CHINESE ACADEMY OF SCIENCES (CN) 2015-05-05 US disclosed
US-20090247470-A1 PHENYLALANINE DIPEPTIDE DERIVATIVES, COMPOSITIONS AND USE THEREOF The Key Lab. Of Chemistry for Natural Products of Guizhou Province and Chinese Acad. of Sciences (CN) 2009-10-01 US disclosed
EP-2036895-A1 HSP90 INHIBITOR CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2009-03-18 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 (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-20090247470-A1 PHENYLALANINE DIPEPTIDE DERIVATIVES, COMPOSITIONS AND USE THEREOF DNPEP, PEPD, VIP SSTR3 1572/4885RAB9A 2865/4885NPC1 1535/4885

“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.