SCHEMBL19349125

SCHEMBL19349125

COC(=O)N(C1c2ccccc2-c2ccccc21)[C@H](CCNC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ DUT P33316 2/20 0.39
▸ KIF11 P52732 2/20 0.33
▸ CYP1A2 P05177 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ KCNN4 O15554 2/20 0.32
▸ DRD2 P14416 1/20 0.31
▸ OPRM1 P35372 1/20 0.31
▸ DRD3 P35462 1/20 0.31
▸ KMT2A Q03164 2/20 0.30
▸ MDM4 O15151 1/20 0.30
▸ TP53 P04637 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ ATM Q13315 1/20 0.30
▸ CNR1 P21554 2/20 0.30
▸ CNR2 P34972 2/20 0.30
▸ GPR3 P46089 1/20 0.30

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
SCHEMBL19349124 1.00 DUT (0.39) DUTKIF11CYP1A2TSHRKCNN4
SCHEMBL436025 0.88 KIF11 (0.34) DUTKIF11TSHRKMT2AMEN1
SCHEMBL436023 0.88 KIF11 (0.34) DUTKIF11TSHRKMT2AMEN1
SCHEMBL8892535 0.83 CYP1A2 (0.37) CYP1A2TSHRKMT2AGPR3
SCHEMBL8893033 0.83 CYP1A2 (0.37) CYP1A2TSHRKMT2AGPR3
SCHEMBL25177898 0.83 CYP1A2 (0.37) CYP1A2TSHRKMT2AGPR3
SCHEMBL28486576 0.82 CYP1A2 (0.36) CYP1A2TSHRKMT2AGPR3
SCHEMBL16933112 0.82 CYP1A2 (0.39) CYP1A2TSHRKMT2ATP53GPR3
SCHEMBL14648233 0.82 CYP1A2 (0.36) CYP1A2TSHRKMT2AGPR3
SCHEMBL30510342 0.82 CYP1A2 (0.36) CYP1A2TSHRKMT2AGPR3

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
CN-106715457-B Small molecule targeting couplet specifically activated by tumor microenvironment and application thereof 亚飞(上海)生物医药科技有限公司 2021-09-28 — — CN disclosed
US-20170266308-A1 SMALL MOLECULE CONJUGATES SPECIFICALLY ACTIVATED IN TUMOR MICROENVIROMENT FOR TARGETING AND USE THEREOF YAFEI SHANGHAI BIOLOG MEDICINE SCIENCE & TECHNOLOGY CO. LTD. (CN) 2017-09-21 — — 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-20170266308-A1 SMALL MOLECULE CONJUGATES SPECIFICALLY ACTIVATED IN TUMOR MICROENVIROMENT FOR TARGETING AND USE THEREOF CD4, MET, TNFSF10 DUT 2501/4885KIF11 3636/4885CYP1A2 3022/4885

“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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