SCHEMBL25363467

SCHEMBL25363467

[CH2]c1ccc(NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2ccccc2)NC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCN=[N+]=[N-])cc1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CALCRL Q16602 2/20 0.51
▸ SSTR3 P32745 1/20 0.46
▸ FOLH1 Q04609 4/20 0.40
▸ ITGB3 P05106 1/20 0.39
▸ ITGA2B P08514 1/20 0.39
▸ QRFPR Q96P65 1/20 0.39
▸ F2 P00734 1/20 0.39
▸ CHRNA1 P02708 1/20 0.39
▸ CHRNG P07510 1/20 0.39
▸ CHRNB1 P11230 1/20 0.39
▸ CHRND Q07001 1/20 0.39
▸ PLG P00747 1/20 0.38
▸ ROCK2 O75116 1/20 0.38
▸ HDAC8 Q9BY41 1/20 0.38

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
SCHEMBL25359743 1.00 CALCRL (0.51) CALCRLSSTR3FOLH1ITGB3ITGA2B
SCHEMBL25360291 0.90 CALCRL (0.44) CALCRLSSTR3FOLH1ITGB3ITGA2B
SCHEMBL25361531 0.88 CALCRL (0.43) CALCRLSSTR3FOLH1
SCHEMBL25361358 0.86 HDAC8 (0.48) HDAC8
SCHEMBL25438103 0.86 CTSL (0.41) CALCRLSSTR3PLGROCK2
SCHEMBL25361811 0.85 FOLH1 (0.38) CALCRLFOLH1
SCHEMBL25361472 0.85 FOLH1 (0.38) CALCRLFOLH1
SCHEMBL26015579 0.83 ITGB1 (0.43) CALCRLFOLH1HDAC8
SCHEMBL26024879 0.83 CALCRL (0.42) CALCRLFOLH1
SCHEMBL26024621 0.83 FOLH1 (0.41) CALCRLFOLH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230241243-A1 CARRIER PARTICLE-DRUG CONJUGATES, SELF-IMMOLATIVE LINKERS, AND USES THEREOF ELUCIDA ONCOLOGY, INC. 2023-08-03 — — 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-20230241243-A1 CARRIER PARTICLE-DRUG CONJUGATES, SELF-IMMOLATIVE LINKERS, AND USES THEREOF NDC1, KIFC1, SDCBP CALCRL 3746/4885SSTR3 3591/4885FOLH1 433/4885

“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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