SCHEMBL29339197

SCHEMBL29339197

CC(C)(C)C(=O)NCCOCCOCCC(=O)NCCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 7/20 0.64
▸ F2 P00734 1/20 0.61
▸ PRSS1 P07477 1/20 0.61
▸ PRSS2 P07478 1/20 0.61
▸ PRSS3 P35030 1/20 0.61
▸ TPSAB1 Q15661 1/20 0.61
▸ PKM P14618 2/20 0.57
▸ HSP90AB1 P08238 1/20 0.57
▸ TDP1 Q9NUW8 3/20 0.56
▸ PLCD1 P51178 1/20 0.51
▸ GBA1 P04062 1/20 0.50
▸ CAPN1 P07384 2/20 0.49

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
SCHEMBL18612883 0.94 F2 (0.67) FOLH1F2PRSS1PRSS2PRSS3
SCHEMBL29339046 0.90 FOLH1 (0.53) FOLH1F2PRSS1PRSS2PRSS3
SCHEMBL21101042 0.88 FOLH1 (0.70) FOLH1F2PRSS1PRSS2PRSS3
SCHEMBL22314218 0.88 F2 (0.66) FOLH1F2PRSS1PRSS2PRSS3
SCHEMBL17170007 0.87 TDP1 (0.66) FOLH1F2PRSS1PRSS2PRSS3
SCHEMBL25894853 0.87 PRSS1 (0.65) FOLH1F2PRSS1PRSS2PRSS3
SCHEMBL16075601 0.87 F2 (0.67) FOLH1F2PRSS1PRSS2PRSS3
SCHEMBL17039697 0.86 F2 (0.71) FOLH1F2PRSS1PRSS2PRSS3
SCHEMBL19751698 0.86 F2 (0.73) FOLH1F2PRSS1PRSS2PRSS3
SCHEMBL4968230 0.86 F2 (0.73) FOLH1F2PRSS1PRSS2PRSS3

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-20240239818-A1 COMPOUNDS AND COMPOSITIONS COMPRISING FLUOROPHORES FOR USE IN VISUALIZATION AND PURIFICATION OR MANIPULATION HOWARD HUGHES MEDICAL INSTITUTE 2024-07-18 — — 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 (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-20240239818-A1 COMPOUNDS AND COMPOSITIONS COMPRISING FLUOROPHORES FOR USE IN VISUALIZATION AND PURIFICATION OR MANIPULATION STAMBP, MSN, SYPL1 FOLH1 2253/4885F2 2808/4885PRSS1 375/4885

“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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