SCHEMBL30193301

SCHEMBL30193301

NCCCC[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TLR2 O60603 2/20 0.53
▸ ECE1 P42892 1/20 0.51
▸ PTPN1 P18031 2/20 0.50
▸ MDM2 Q00987 4/20 0.49
▸ ITGB3 P05106 4/20 0.48
▸ ITGA2B P08514 4/20 0.48
▸ CTSL P07711 1/20 0.48

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
SCHEMBL30150290 1.00 TLR2 (0.53) TLR2ECE1PTPN1MDM2ITGB3
SCHEMBL20758974 0.99 TLR2 (0.55) TLR2ECE1PTPN1MDM2
SCHEMBL20759079 0.99 TLR2 (0.55) TLR2ECE1PTPN1MDM2
SCHEMBL20758846 0.99 TLR2 (0.55) TLR2ECE1PTPN1MDM2
SCHEMBL31566096 0.99 TLR2 (0.55) TLR2ECE1PTPN1MDM2
SCHEMBL30598967 0.96 TLR2 (0.55) TLR2ECE1PTPN1ITGB3ITGA2B
SCHEMBL30099539 0.95 PTPN1 (0.57) TLR2ECE1PTPN1
SCHEMBL31138058 0.94 PTPN1 (0.57) TLR2PTPN1MDM2
SCHEMBL31212512 0.93 TLR2 (0.59) TLR2PTPN1MDM2
SCHEMBL31389333 0.92 TLR2 (0.51) TLR2ECE1PTPN1CTSL

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-20230265173-A1 SULFONAMIDE-CONTAINING LINKAGE SYSTEMS FOR DRUG CONJUGATES ZYMEWORKS BC INC. (CA) 2023-08-24 — — US disclosed
US-11560422-B2 Sulfonamide-containing linkage systems for drug conjugates ZYMEWORKS INC. 2023-01-24 — — 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-20230265173-A1 SULFONAMIDE-CONTAINING LINKAGE SYSTEMS FOR DRUG CONJUGATES MPST, TPST2, SULT1A1 TLR2 2058/4885ECE1 2970/4885PTPN1 1798/4885
US-11560422-B2 Sulfonamide-containing linkage systems for drug conjugates MPST, TPST2, SULT1A1 TLR2 2058/4885ECE1 2970/4885PTPN1 1798/4885

“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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