SCHEMBL24601539

SCHEMBL24601539

CCC(C)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)COCCOCCOCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)C(=O)N[C@@H](CCC(N)=O)C(=O)NC

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 1/20 0.50
▸ PLG P00747 1/20 0.50
▸ PRSS1 P07477 1/20 0.50
▸ PRSS2 P07478 1/20 0.50
▸ PRSS3 P35030 1/20 0.50
▸ TPSAB1 Q15661 1/20 0.50
▸ CCKAR P32238 3/20 0.48
▸ CCKBR P32239 2/20 0.48
▸ GLP1R P43220 12/20 0.47
▸ GIPR P48546 10/20 0.47
▸ GCGR P47871 6/20 0.47
▸ IL23R Q5VWK5 1/20 0.46
▸ PIN1 Q13526 1/20 0.45
▸ AKT1 P31749 1/20 0.43
▸ CXCR4 P61073 1/20 0.42

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
SCHEMBL26346380 0.76 GLP1R (0.60) CCKBRGLP1RGIPRGCGRCXCR4
SCHEMBL12984108 0.75 RAMP3 (0.62) CXCR4
SCHEMBL12984633 0.75 APLNR (0.49) F2PLGPRSS1PRSS2PRSS3
SCHEMBL30409891 0.74 EED (0.58) GLP1RGIPRGCGRAKT1CXCR4
SCHEMBL10066201 0.73 PRSS1 (0.49) F2PLGPRSS1PRSS2PRSS3
SCHEMBL29904119 0.73 MAGI3 (0.52) CCKBRIL23RCXCR4
SCHEMBL30440014 0.73 IL23R (0.59) GLP1RGIPRIL23RPIN1CXCR4
SCHEMBL23710086 0.73 PIN1 (0.51) CCKARCCKBRPIN1CXCR4
SCHEMBL23700413 0.72 PIN1 (0.53) CCKARCCKBRPIN1CXCR4
SCHEMBL23700417 0.72 PIN1 (0.53) CCKARCCKBRPIN1CXCR4

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-11766414-B2 Compositions, delivery systems, and methods useful in tumor therapy INDI MOLECULAR, INC. (US) 2023-09-26 — — US disclosed
US-20220211648-A1 COMPOSITIONS, DELIVERY SYSTEMS, AND METHODS USEFUL IN TUMOR THERAPY INDI MOLECULAR, INC. 2022-07-07 — — 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-11766414-B2 Compositions, delivery systems, and methods useful in tumor therapy TP53, BAX, RNASE1 F2 462/4885PLG 65/4885PRSS1 1069/4885
US-20220211648-A1 COMPOSITIONS, DELIVERY SYSTEMS, AND METHODS USEFUL IN TUMOR THERAPY TP53, BAX, RNASE1 F2 462/4885PLG 65/4885PRSS1 1069/4885

“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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