SCHEMBL24635188

SCHEMBL24635188

CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H]1C(=O)NCC(=O)N[C@@H](CCCNC(=O)OC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@H](CO)C(=O)N[C@@H]([C@@H](C)CC(=O)O)C(=O)N[C@@H](CC(=O)c2ccccc2N)C(=O)O[C@@H]1C

nearest known ligand 0.78

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 1/20 0.78
▸ DRD1 P21728 1/20 0.78
▸ PTGS1 P23219 1/20 0.78
▸ PDE4A P27815 1/20 0.78
▸ TSLP Q969D9 13/20 0.39
▸ SHH Q15465 1/20 0.38
▸ IL23R Q5VWK5 1/20 0.38
▸ KDM4A O75164 1/20 0.38
▸ EPHA2 P29317 1/20 0.38
▸ F11 P03951 1/20 0.38
▸ BCL2A1 Q16548 1/20 0.37

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
SCHEMBL24478636 0.97 CTSL (0.79) CTSLDRD1PTGS1PDE4ATSLP
SCHEMBL14446086 0.95 CTSL (0.76) CTSLDRD1PTGS1PDE4ATSLP
SCHEMBL8227154 0.94 CTSL (0.88) CTSLDRD1PTGS1PDE4ASHH
SCHEMBL8420524 0.94 CTSL (0.88) CTSLDRD1PTGS1PDE4ASHH
SCHEMBL8221832 0.94 CTSL (0.88) CTSLDRD1PTGS1PDE4ASHH
SCHEMBL8415773 0.94 CTSL (0.88) CTSLDRD1PTGS1PDE4ASHH
SCHEMBL10157516 0.94 CTSL (0.88) CTSLDRD1PTGS1PDE4ASHH
SCHEMBL8422213 0.94 CTSL (0.88) CTSLDRD1PTGS1PDE4ASHH
SCHEMBL21250583 0.94 CTSL (0.88) CTSLDRD1PTGS1PDE4ASHH
SCHEMBL14446856 0.94 CTSL (0.88) CTSLDRD1PTGS1PDE4ASHH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230256109-A1 Trans-Cyclooctene Bioorthogonal Agents and Uses in Cancer and Immunotherapy TAMBO, INC. 2023-08-17 — — US disclosed
US-20220259254-A1 TRANS-CYCLOOCTENE BIOORTHOGONAL AGENTS AND USES IN CANCER AND IMMUNOTHERAPY TAMBO, INC. 2022-08-18 — — 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 (2 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-20220259254-A1 TRANS-CYCLOOCTENE BIOORTHOGONAL AGENTS AND USES IN CANCER AND IMMUNOTHERAPY TIE1, CD74, MERTK CTSL 1859/4885DRD1 4067/4885PTGS1 1094/4885
US-20230256109-A1 Trans-Cyclooctene Bioorthogonal Agents and Uses in Cancer and Immunotherapy ICOS, CD74, PBK CTSL 1828/4885DRD1 4039/4885PTGS1 643/4885

“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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