SCHEMBL11221428

SCHEMBL11221428

COC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(NC(=O)OC(C)(C)C)C(C)C

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 2/20 0.65
▸ CTSL P07711 2/20 0.62
▸ CTSS P25774 1/20 0.62
▸ CTSK P43235 1/20 0.62
▸ MAPT P10636 2/20 0.61
▸ TP53 P04637 1/20 0.61
▸ SMN1; SMN2 Q16637 1/20 0.57
▸ MEN1 O00255 1/20 0.56
▸ HCRTR1 O43613 1/20 0.56
▸ KMT2A Q03164 1/20 0.56
▸ HDAC3 O15379 1/20 0.56
▸ HDAC4 P56524 1/20 0.56
▸ HDAC1 Q13547 1/20 0.56
▸ HDAC7 Q8WUI4 1/20 0.56
▸ HDAC2 Q92769 1/20 0.56
▸ HDAC10 Q969S8 1/20 0.56
▸ HDAC11 Q96DB2 1/20 0.56
▸ HDAC8 Q9BY41 1/20 0.56
▸ HDAC6 Q9UBN7 1/20 0.56
▸ HDAC9 Q9UKV0 1/20 0.56

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
SCHEMBL11221443 1.00 TACR1 (0.65) TACR1CTSLCTSSCTSKMAPT
SCHEMBL10794811 0.91 CTSL (0.66) TACR1CTSLCTSSCTSKMAPT
SCHEMBL10794801 0.91 CTSL (0.66) TACR1CTSLCTSSCTSKMAPT
SCHEMBL11230473 0.90 CTSL (0.65) TACR1CTSLCTSSCTSKMAPT
SCHEMBL11230476 0.90 CTSL (0.65) TACR1CTSLCTSSCTSKMAPT
SCHEMBL12555965 0.90 TACR1 (0.67) TACR1CTSLCTSSCTSKMAPT
SCHEMBL29419173 0.90 TACR1 (0.67) TACR1CTSLCTSSCTSKMAPT
SCHEMBL20829903 0.90 TACR1 (0.72) TACR1CTSLCTSSCTSKMAPT
SCHEMBL30678210 0.90 TACR1 (0.72) TACR1CTSLCTSSCTSKMAPT
SCHEMBL30678217 0.90 TACR1 (0.72) TACR1CTSLCTSSCTSKMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150119251-A1 AGRICULTURAL PLANT-PROTECTING AGENTS CONTAINING DIPEPTIDE DERIVATIVE AS ACTIVE INGREDIENT REPUBLIC OF KOREA (RURAL DEVELOPMENT ADMINISTRATION) (KR) 2015-04-30 — — US claimed
US-20150119251-A1 AGRICULTURAL PLANT-PROTECTING AGENTS CONTAINING DIPEPTIDE DERIVATIVE AS ACTIVE INGREDIENT REPUBLIC OF KOREA (RURAL DEVELOPMENT ADMINISTRATION) (KR) 2015-04-30 — — US disclosed
US-4356118-A Tryptophan derivatives G. D. SEARLE & CO. (US) 1982-10-26 — — 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-20150119251-A1 AGRICULTURAL PLANT-PROTECTING AGENTS CONTAINING DIPEPTIDE DERIVATIVE AS ACTIVE INGREDIENT PEPD, DNPEP, DPP7 TACR1 4855/4885CTSL 1483/4885CTSS 3207/4885

“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.

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