SCHEMBL21019116

SCHEMBL21019116

CNCCCC[C@H](NC(=O)[C@H](CCCCNC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1)C(=O)O

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 3/20 0.66
▸ CPB1 P15086 1/20 0.63
▸ CPB2 Q96IY4 1/20 0.63
▸ SIRT2 Q8IXJ6 6/20 0.62
▸ SIRT1 Q96EB6 6/20 0.62
▸ ITGB3 P05106 1/20 0.58
▸ ITGAV P06756 1/20 0.58
▸ SIRT5 Q9NXA8 1/20 0.57
▸ SIRT3 Q9NTG7 3/20 0.57

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
SCHEMBL20272626 0.96 SIRT2 (0.60) FOLH1CPB1CPB2SIRT2SIRT1
SCHEMBL18907025 0.94 FOLH1 (0.72) FOLH1CPB1CPB2SIRT2SIRT1
SCHEMBL14157482 0.94 FOLH1 (0.72) FOLH1CPB1CPB2SIRT2SIRT1
SCHEMBL14157462 0.94 FOLH1 (0.72) FOLH1CPB1CPB2SIRT2SIRT1
SCHEMBL18907028 0.94 FOLH1 (0.72) FOLH1CPB1CPB2SIRT2SIRT1
SCHEMBL14157463 0.94 FOLH1 (0.72) FOLH1CPB1CPB2SIRT2SIRT1
SCHEMBL21018995 0.93 SIRT2 (0.62) FOLH1CPB1CPB2SIRT2SIRT1
SCHEMBL8641871 0.92 FOLH1 (0.69) FOLH1CPB1CPB2SIRT2SIRT1
SCHEMBL14519208 0.92 FOLH1 (0.69) FOLH1CPB1CPB2SIRT2SIRT1
SCHEMBL12874103 0.91 SIRT2 (0.65) FOLH1CPB1CPB2SIRT2SIRT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11173214-B2 Antibody-drug conjugates comprising branched linkers and methods related thereto LEGOCHEM BIOSCIENCES, INC. (KR) 2021-11-16 — — US disclosed
US-11167040-B2 Conjugates comprising peptide groups and methods related thereto LEGOCHEM BIOSCIENCES, INC. (KR) 2021-11-09 — — US disclosed
US-20200297865-A1 CONJUGATES COMPRISING SELF-IMMOLATIVE GROUPS AND METHODS RELATED THERETO LIGACHEM BIOSCIENCES INC. (KR) 2020-09-24 — — US disclosed
US-20190151465-A1 ANTIBODY-DRUG CONJUGATES COMPRISING BRANCHED LINKERS AND METHODS RELATED THERETO LIGACHEM BIOSCIENCES INC. (KR) 2019-05-23 — — 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 (4 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-20190151465-A1 ANTIBODY-DRUG CONJUGATES COMPRISING BRANCHED LINKERS AND METHODS RELATED THERETO PA2G4, FCGRT, CLTB FOLH1 155/4885CPB1 1619/4885CPB2 1208/4885
US-11167040-B2 Conjugates comprising peptide groups and methods related thereto DAO, LPO, TYRO3 FOLH1 161/4885CPB1 1181/4885CPB2 849/4885
US-11173214-B2 Antibody-drug conjugates comprising branched linkers and methods related thereto PA2G4, FCGRT, CLTB FOLH1 155/4885CPB1 1619/4885CPB2 1208/4885
US-20200297865-A1 CONJUGATES COMPRISING SELF-IMMOLATIVE GROUPS AND METHODS RELATED THERETO LPO, NOXO1, DAO FOLH1 453/4885CPB1 1718/4885CPB2 1809/4885

“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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