SCHEMBL26015579

SCHEMBL26015579

CNCCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCN=[N+]=[N-])C(=O)Nc1ccc(CO)cc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ITGB1 P05556 1/20 0.43
▸ ITGA5 P08648 1/20 0.43
▸ FOLH1 Q04609 16/20 0.41
▸ CALCRL Q16602 1/20 0.41
▸ HDAC3 O15379 1/20 0.40
▸ HDAC4 P56524 1/20 0.40
▸ HDAC1 Q13547 1/20 0.40
▸ HDAC7 Q8WUI4 1/20 0.40
▸ HDAC2 Q92769 1/20 0.40
▸ HDAC10 Q969S8 1/20 0.40
▸ HDAC11 Q96DB2 1/20 0.40
▸ HDAC8 Q9BY41 1/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40
▸ HDAC9 Q9UKV0 1/20 0.40
▸ HDAC5 Q9UQL6 1/20 0.40

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
SCHEMBL26015660 0.91 FOLH1 (0.41) ITGB1ITGA5FOLH1CALCRL
SCHEMBL26024621 0.91 FOLH1 (0.41) FOLH1CALCRL
SCHEMBL26027291 0.90 FOLH1 (0.40) FOLH1
SCHEMBL26028187 0.89 ITGB1 (0.49) ITGB1ITGA5FOLH1CALCRL
SCHEMBL26015665 0.89 SSTR3 (0.41) ITGB1ITGA5FOLH1CALCRLHDAC3
SCHEMBL26027705 0.89 FOLH1 (0.45) ITGB1ITGA5FOLH1
SCHEMBL25362754 0.88 FOLH1 (0.38) FOLH1CALCRLHDAC3HDAC4HDAC1
SCHEMBL25362741 0.88 FOLH1 (0.38) FOLH1CALCRLHDAC3HDAC4HDAC1
SCHEMBL26015711 0.88 HDAC8 (0.46) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL26015581 0.87 FOLH1 (0.38) ITGB1ITGA5FOLH1CALCRL

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 ITGB1 2939/4885ITGA5 3119/4885FOLH1 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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