SCHEMBL4366475

SCHEMBL4366475

COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.67
CTSL P07711 4/20 0.65
GAA P10253 1/20 0.62
RAB9A P51151 1/20 0.62
ALDH1A1 P00352 3/20 0.61
LMNA P02545 1/20 0.61
GLA P06280 1/20 0.61
LNPEP Q9UIQ6 4/20 0.61
THRB P10828 1/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
HSD17B10 Q99714 1/20 0.58
MDM4 O15151 1/20 0.58
MDM2 Q00987 1/20 0.58
ERAP1 Q9NZ08 2/20 0.57
ERAP2 Q6P179 2/20 0.57
CTSS P25774 1/20 0.57
CTSK P43235 1/20 0.57
TACR1 P25103 1/20 0.55
PSMB5 P28074 2/20 0.55

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
SCHEMBL13669588 1.00 TSHR (0.67) TSHRCTSLGAARAB9AALDH1A1
SCHEMBL13669590 1.00 TSHR (0.67) TSHRCTSLGAARAB9AALDH1A1
SCHEMBL11580063 1.00 TSHR (0.67) TSHRCTSLGAARAB9AALDH1A1
SCHEMBL4362716 1.00 TSHR (0.67) TSHRCTSLGAARAB9AALDH1A1
SCHEMBL4363548 0.96 GAA (0.67) TSHRCTSLGAARAB9AALDH1A1
SCHEMBL3928165 0.94 LNPEP (0.67) TSHRCTSLGAARAB9AALDH1A1
SCHEMBL13669573 0.94 GAA (0.69) TSHRCTSLGAARAB9AALDH1A1
SCHEMBL4369272 0.94 GAA (0.69) TSHRCTSLGAARAB9AALDH1A1
SCHEMBL3928164 0.94 LNPEP (0.67) TSHRCTSLGAARAB9AALDH1A1
SCHEMBL4360846 0.93 TSHR (0.62) TSHRCTSLGAARAB9AALDH1A1

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 7 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
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-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
US-4097608-A Anti-ulcerous tyrosine derivatives DAIICHI SEIYAKU CO., LTD. (JA) 1978-06-27 US disclosed
US-4057629-A ANTIULCER DAIICHI SEIYAKU CO., LTD. (JA) 1977-11-08 US disclosed
US-4025644-A ANTIULCER DAIICHI SEIYAKU CO., LTD. (JA) 1977-05-24 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 (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 TSHR 4473/4885CTSL 591/4885GAA 407/4885

“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.