SCHEMBL21781933

SCHEMBL21781933

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)NCc1ccc(NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](NC(=O)CCC(=O)N2CC[C@H](C(=O)Oc3c(F)c(F)c(F)c(F)c3F)C[C@@H]2C)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 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.50
FOLH1 Q04609 3/20 0.46
TTR P02766 2/20 0.43
SSTR2 P30874 2/20 0.36
AKT1 P31749 3/20 0.35
NECTIN4 Q96NY8 1/20 0.35
FAP Q12884 1/20 0.33

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
SCHEMBL21781738 1.00 CYP3A4 (0.50) CYP3A4FOLH1TTRSSTR2AKT1
SCHEMBL21781915 1.00 CYP3A4 (0.50) CYP3A4FOLH1TTRSSTR2AKT1
SCHEMBL22068460 0.99 CYP3A4 (0.51) CYP3A4FOLH1TTRSSTR2AKT1
SCHEMBL22068559 0.99 CYP3A4 (0.51) CYP3A4FOLH1TTRSSTR2AKT1
SCHEMBL21781809 0.97 CYP3A4 (0.52) CYP3A4FOLH1TTRSSTR2AKT1
SCHEMBL22068555 0.96 CYP3A4 (0.52) CYP3A4FOLH1TTRSSTR2AKT1
SCHEMBL22068551 0.96 CYP3A4 (0.52) CYP3A4FOLH1TTRSSTR2AKT1
SCHEMBL22068554 0.96 CYP3A4 (0.52) CYP3A4FOLH1TTRSSTR2AKT1
SCHEMBL21781977 0.95 CYP3A4 (0.47) CYP3A4FOLH1TTRSSTR2AKT1
SCHEMBL21781918 0.95 CYP3A4 (0.50) CYP3A4FOLH1TTRSSTR2AKT1

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 3 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
EP-3617221-A1 CYTOTOXIN AND CONJUGATE, USES OF SAME, AND PREPARATION METHOD THEREFOR Sichuan Kelun-Biotech Biopharmaceutical Co., Ltd. (CN) 2020-03-04 EP 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.