SCHEMBL21768253

SCHEMBL21768253

CS(=O)(=O)CC[C@H](N)C(=O)NCc1ccc(NC(=O)O)cc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 4/20 0.45
NPC1 O15118 2/20 0.43
CA1 P00915 5/20 0.42
CA2 P00918 5/20 0.42
CA12 O43570 2/20 0.42
CA9 Q16790 2/20 0.42
CA7 P43166 1/20 0.41
CA14 Q9ULX7 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
TP53 P04637 1/20 0.41
HPGD P15428 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PTPN1 P18031 1/20 0.41
SPHK2 Q9NRA0 1/20 0.40
POLB P06746 1/20 0.40
PKM P14618 1/20 0.40

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
SCHEMBL21768255 1.00 SPHK1 (0.45) SPHK1NPC1CA1CA2CA12
SCHEMBL21781849 0.83 CA1 (0.45) SPHK1CA1CA2
SCHEMBL21768292 0.80 AAK1 (0.51) NPC1MEN1KMT2ATP53HPGD
SCHEMBL21768294 0.80 AAK1 (0.51) NPC1MEN1KMT2ATP53HPGD
SCHEMBL21768215 0.79 NPC1 (0.51) NPC1MEN1KMT2ATP53HPGD
SCHEMBL21768217 0.79 NPC1 (0.51) NPC1MEN1KMT2ATP53HPGD
SCHEMBL21768259 0.77 PTPN1 (0.54) PTPN1PKM
SCHEMBL21768262 0.77 PTPN1 (0.54) PTPN1PKM
SCHEMBL21768260 0.77 PTPN1 (0.54) PTPN1PKM
SCHEMBL21768220 0.77 NPC1 (0.49) SPHK1NPC1MEN1KMT2ATP53

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 4 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-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 SPHK1 4228/4885NPC1 2004/4885CA1 1961/4885
US-20200179529-A1 CYTOTOXIN AND CONJUGATE, USES OF SAME AND PREPARATION METHOD THEREFOR CD2, HAVCR2, CD4 SPHK1 4228/4885NPC1 2004/4885CA1 1961/4885

“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.