Sugi Predict

Sugi Predict / Compounds / SCHEMBL22068086

SCHEMBL22068086

SCHEMBL22068086

CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)Cc1ccc(NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](NC(=O)CCC(=O)N2CCC(C(=O)O)CC2)C(C)C)cc1)OC)N(C)C(=O)[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C(C)C

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.52
▸ FOLH1 Q04609 3/20 0.48
▸ TTR P02766 2/20 0.43
▸ SSTR2 P30874 2/20 0.38
▸ NECTIN4 Q96NY8 1/20 0.36
▸ FAP Q12884 2/20 0.35
▸ AKT1 P31749 1/20 0.32
▸ CTSD P07339 1/20 0.32
▸ CTSE P14091 1/20 0.32
▸ BACE1 P56817 1/20 0.32

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
SCHEMBL21781922 0.97 CYP3A4 (0.52) CYP3A4FOLH1TTRSSTR2NECTIN4
SCHEMBL21782009 0.97 CYP3A4 (0.51) CYP3A4FOLH1TTRSSTR2NECTIN4
SCHEMBL22068099 0.96 CYP3A4 (0.52) CYP3A4FOLH1TTRSSTR2NECTIN4
SCHEMBL22068458 0.95 CYP3A4 (0.53) CYP3A4FOLH1TTRSSTR2NECTIN4
SCHEMBL21781792 0.94 CYP3A4 (0.49) CYP3A4FOLH1TTRSSTR2NECTIN4
SCHEMBL21781877 0.94 CYP3A4 (0.51) CYP3A4FOLH1TTRSSTR2NECTIN4
SCHEMBL22068144 0.94 CYP3A4 (0.51) CYP3A4FOLH1TTRSSTR2NECTIN4
SCHEMBL21781880 0.94 CYP3A4 (0.51) CYP3A4FOLH1TTRSSTR2NECTIN4
SCHEMBL22068457 0.93 CYP3A4 (0.50) CYP3A4FOLH1TTRSSTR2NECTIN4
SCHEMBL19084307 0.93 CYP3A4 (0.49) CYP3A4FOLH1TTRSSTR2NECTIN4

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-11207420-B2 Cytotoxin and conjugate, uses of same and preparation method therefor SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2021-12-28 — — US disclosed
US-20200179529-A1 CYTOTOXIN AND CONJUGATE, USES OF SAME AND PREPARATION METHOD THEREFOR SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2020-06-11 — — 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-11207420-B2 Cytotoxin and conjugate, uses of same and preparation method therefor CD2, HAVCR2, CD4 CYP3A4 949/4885FOLH1 1690/4885TTR 558/4885
US-20200179529-A1 CYTOTOXIN AND CONJUGATE, USES OF SAME AND PREPARATION METHOD THEREFOR CD2, HAVCR2, CD4 CYP3A4 949/4885FOLH1 1690/4885TTR 558/4885

“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.