SCHEMBL20800166

SCHEMBL20800166

CC[C@H](C)C([C@@H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(=O)N[C@H](CN=[N+]=[N-])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 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.48
FOLH1 Q04609 3/20 0.46
TTR P02766 2/20 0.41
NECTIN4 Q96NY8 1/20 0.35
SSTR2 P30874 2/20 0.34
FAP Q12884 4/20 0.33
MAP1LC3B Q9GZQ8 1/20 0.30

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
SCHEMBL17987755 1.00 CYP3A4 (0.48) CYP3A4FOLH1TTRNECTIN4SSTR2
SCHEMBL17987724 0.97 CYP3A4 (0.47) CYP3A4FOLH1TTRNECTIN4SSTR2
SCHEMBL20800164 0.97 CYP3A4 (0.47) CYP3A4FOLH1TTRNECTIN4SSTR2
SCHEMBL24193297 0.95 CYP3A4 (0.52) CYP3A4FOLH1TTRNECTIN4SSTR2
SCHEMBL19084307 0.94 CYP3A4 (0.49) CYP3A4FOLH1TTRNECTIN4SSTR2
SCHEMBL19084353 0.94 CYP3A4 (0.49) CYP3A4FOLH1TTRNECTIN4SSTR2
SCHEMBL20800177 0.94 CYP3A4 (0.46) CYP3A4FOLH1TTRNECTIN4SSTR2
SCHEMBL24465502 0.94 CYP3A4 (0.44) CYP3A4FOLH1TTRNECTIN4SSTR2
SCHEMBL20800174 0.94 CYP3A4 (0.45) CYP3A4FOLH1TTRNECTIN4SSTR2
SCHEMBL19084324 0.92 CYP3A4 (0.41) CYP3A4FOLH1TTRNECTIN4SSTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11903948-B2 Anti-ErbB2 antibody-drug conjugate and composition thereof, preparation method therefor, and use thereof SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2024-02-20 US disclosed
US-20230293536-A1 ANTI-ERBB2 ANTIBODY-DRUG CONJUGATE AND COMPOSITION THEREOF, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2023-09-21 US disclosed
US-20220008553-A1 ANTI-ERBB2 ANTIBODY-DRUG CONJUGATE AND COMPOSITION THEREOF, PREPARATION METHOD THEREFOR, AND USE THEREOF SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2022-01-13 US disclosed
US-20210252006-A1 ANTI-ERBB2 ANTIBODY-DRUG CONJUGATE AND COMPOSITION THEREOF, PREPARATION METHOD THEREFOR, AND USE THEREOF SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2021-08-19 US disclosed
US-20190076438-A1 ANTI-ERBB2 ANTIBODY-DRUG CONJUGATE AND COMPOSITION THEREOF, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2019-03-14 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 (5 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-20190076438-A1 ANTI-ERBB2 ANTIBODY-DRUG CONJUGATE AND COMPOSITION THEREOF, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF ERBB2, ERBB3, EGFR CYP3A4 1508/4885FOLH1 164/4885TTR 3841/4885
US-20230293536-A1 ANTI-ERBB2 ANTIBODY-DRUG CONJUGATE AND COMPOSITION THEREOF, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF ERBB2, ERBB3, EGFR CYP3A4 1545/4885FOLH1 168/4885TTR 3881/4885
US-11903948-B2 Anti-ErbB2 antibody-drug conjugate and composition thereof, preparation method therefor, and use thereof ERBB2, EGFR, ERBB3 CYP3A4 2599/4885FOLH1 801/4885TTR 3424/4885
US-20210252006-A1 ANTI-ERBB2 ANTIBODY-DRUG CONJUGATE AND COMPOSITION THEREOF, PREPARATION METHOD THEREFOR, AND USE THEREOF ERBB2, EGFR, ERBB3 CYP3A4 2599/4885FOLH1 801/4885TTR 3424/4885
US-20220008553-A1 ANTI-ERBB2 ANTIBODY-DRUG CONJUGATE AND COMPOSITION THEREOF, PREPARATION METHOD THEREFOR, AND USE THEREOF ERBB2, EGFR, ERBB3 CYP3A4 3210/4885FOLH1 233/4885TTR 2882/4885

“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.