SCHEMBL21137546

SCHEMBL21137546

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](N)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 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.51
FOLH1 Q04609 3/20 0.47
TTR P02766 2/20 0.44
SSTR2 P30874 2/20 0.40
AKT1 P31749 3/20 0.38
ANPEP P15144 1/20 0.35
LNPEP Q9UIQ6 1/20 0.35
NECTIN4 Q96NY8 1/20 0.34

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
SCHEMBL21768301 1.00 CYP3A4 (0.51) CYP3A4FOLH1TTRSSTR2AKT1
SCHEMBL20821274 0.96 CYP3A4 (0.52) CYP3A4FOLH1TTRSSTR2AKT1
SCHEMBL20888710 0.96 CYP3A4 (0.52) CYP3A4FOLH1TTRSSTR2AKT1
SCHEMBL20282193 0.96 CYP3A4 (0.52) CYP3A4FOLH1TTRSSTR2AKT1
SCHEMBL24136516 0.96 CYP3A4 (0.51) CYP3A4FOLH1TTRSSTR2AKT1
SCHEMBL20282053 0.93 CYP3A4 (0.51) CYP3A4FOLH1TTRSSTR2AKT1
SCHEMBL20798897 0.92 CYP3A4 (0.51) CYP3A4FOLH1TTRSSTR2AKT1
SCHEMBL30643814 0.91 CYP3A4 (0.51) CYP3A4FOLH1TTRSSTR2AKT1
SCHEMBL15811650 0.91 CYP3A4 (0.52) CYP3A4FOLH1TTRSSTR2AKT1
SCHEMBL21782050 0.91 CYP3A4 (0.53) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230357259-A1 BIOACTIVE CONJUGATE, PREPARATION METHOD THEREFOR AND USE THEREOF SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2023-11-09 US disclosed
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-20210101906-A2 BIOACTIVE CONJUGATE, PREPARATION METHOD THEREFOR AND USE THEREOF SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2021-04-08 US disclosed
US-20200347075-A1 BIOACTIVE CONJUGATE, PREPARATION METHOD THEREFOR AND USE THEREOF SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2020-11-05 US disclosed
EP-3725798-A1 BIOACTIVE CONJUGATE, PREPARATION METHOD THEREFOR AND USE THEREOF Sichuan Kelun-Biotech Biopharmaceutical Co., Ltd. (CN) 2020-10-21 EP 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
WO-2019114666-A1 BIOACTIVE CONJUGATE, PREPARATION METHOD THEREFOR AND USE THEREOF 四川科伦博泰生物医药股份有限公司 2019-06-20 WO 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-11207420-B2 Cytotoxin and conjugate, uses of same and preparation method therefor CD2, HAVCR2, CD4 CYP3A4 949/4885FOLH1 1690/4885TTR 558/4885
US-20230357259-A1 BIOACTIVE CONJUGATE, PREPARATION METHOD THEREFOR AND USE THEREOF DOCK11, PAICS, RHOA CYP3A4 3557/4885FOLH1 207/4885TTR 4448/4885
US-20200179529-A1 CYTOTOXIN AND CONJUGATE, USES OF SAME AND PREPARATION METHOD THEREFOR CD2, HAVCR2, CD4 CYP3A4 949/4885FOLH1 1690/4885TTR 558/4885
US-20200347075-A1 BIOACTIVE CONJUGATE, PREPARATION METHOD THEREFOR AND USE THEREOF DOCK11, PAICS, RHOA CYP3A4 3557/4885FOLH1 207/4885TTR 4448/4885
US-20210101906-A2 BIOACTIVE CONJUGATE, PREPARATION METHOD THEREFOR AND USE THEREOF DOCK11, PAICS, RHOA CYP3A4 3557/4885FOLH1 207/4885TTR 4448/4885

“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.