SCHEMBL21768192

SCHEMBL21768192

CCOC(=O)C1CCN(C(=O)CCC(=O)O)CC1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.62
TSHR P16473 3/20 0.61
NPC1 O15118 1/20 0.61
RAB9A P51151 1/20 0.61
MAPT P10636 2/20 0.60
HSD17B10 Q99714 2/20 0.56
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52

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
SCHEMBL16639720 0.84 ALDH1A1 (0.64) ALDH1A1TSHRNPC1RAB9AMEN1
SCHEMBL12297020 0.83 ALDH1A1 (0.69) ALDH1A1TSHRNPC1RAB9AMAPT
SCHEMBL6983366 0.82 ALDH1A1 (0.68) ALDH1A1TSHRMAPTHSD17B10MEN1
SCHEMBL6983363 0.82 ALDH1A1 (0.68) ALDH1A1TSHRNPC1RAB9AMAPT
SCHEMBL408106 0.82 ALDH1A1 (0.62) ALDH1A1TSHRNPC1RAB9AMAPT
SCHEMBL12719906 0.82 ALDH1A1 (0.62) ALDH1A1TSHRNPC1RAB9AMAPT
SCHEMBL900124 0.82 MAPT (0.70) ALDH1A1NPC1RAB9AMAPTHSD17B10
SCHEMBL7400389 0.81 ALDH1A1 (0.66) ALDH1A1TSHRNPC1RAB9AMAPT
SCHEMBL5605709 0.81 ALDH1A1 (0.66) ALDH1A1TSHRMAPTHSD17B10MEN1
SCHEMBL10039631 0.81 ALDH1A1 (0.66) ALDH1A1TSHRNPC1RAB9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110312730-B Cytotoxins and conjugates, uses thereof and methods of preparation 四川科伦博泰生物医药股份有限公司 2024-06-18 CN 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-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
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 ALDH1A1 3938/4885TSHR 933/4885NPC1 2004/4885
US-20200179529-A1 CYTOTOXIN AND CONJUGATE, USES OF SAME AND PREPARATION METHOD THEREFOR CD2, HAVCR2, CD4 ALDH1A1 3938/4885TSHR 933/4885NPC1 2004/4885

“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.