SCHEMBL17978075

SCHEMBL17978075

CC(C)(C)OC(=O)C(N)Cc1cccc(Cl)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 3/20 0.55
PNMT P11086 1/20 0.54
CTSL P07711 1/20 0.51
NOS3 P29474 2/20 0.44
NOS1 P29475 2/20 0.44
NOS2 P35228 2/20 0.44
HDAC8 Q9BY41 1/20 0.43
LTA4H P09960 1/20 0.43
MAOA P21397 2/20 0.43
MAOB P27338 2/20 0.43
KIF11 P52732 1/20 0.43
PKM P14618 1/20 0.43
RIPK1 Q13546 1/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CYP3A4 P08684 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41

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
SCHEMBL10560530 1.00 SLC7A5 (0.55) SLC7A5PNMTCTSLNOS3NOS1
SCHEMBL18481474 0.84 SLC7A5 (0.56) SLC7A5NOS3NOS1NOS2LTA4H
SCHEMBL18788872 0.84 SLC7A5 (0.56) SLC7A5NOS3NOS1NOS2LTA4H
SCHEMBL3028647 0.84 SLC7A5 (0.56) SLC7A5NOS3NOS1NOS2LTA4H
SCHEMBL27525604 0.84 SLC7A5 (0.56) SLC7A5NOS3NOS1NOS2LTA4H
SCHEMBL3698756 0.84 SLC7A5 (0.51) SLC7A5PNMTCTSLNOS3NOS1
SCHEMBL10886331 0.84 SLC7A5 (0.51) SLC7A5PNMTCTSLNOS3NOS1
SCHEMBL1519859 0.84 SLC7A5 (0.51) SLC7A5PNMTCTSLNOS3NOS1
SCHEMBL5222169 0.84 PNMT (0.58) SLC7A5PNMTNOS3NOS1NOS2
SCHEMBL8703262 0.84 PNMT (0.58) SLC7A5PNMTNOS3NOS1NOS2

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-111150851-A Ligand-cytotoxic drug conjugate, preparation method and application thereof 江苏恒瑞医药股份有限公司 2020-05-15 CN disclosed
CN-106794258-B Ligand-cytotoxic drug conjugate, preparation method and application thereof 江苏恒瑞医药股份有限公司 2019-07-12 CN disclosed
US-20180177890-A1 LIGAND-CYTOTOXIC DRUG CONJUGATE, PREPARATION METHOD THEREOF, AND USE THEREOF JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2018-06-28 US disclosed
EP-3251698-A1 LIGAND-CYTOTOXICITY DRUG CONJUGATE, PREPARING METHOD THEREFOR, AND APPLICATION THEREOF Jiangsu Hengrui Medicine Co. Ltd. (CN) 2017-12-06 EP disclosed
CN-106794258-A Ligand-cytotoxic drug conjugate, preparation method and application thereof 江苏恒瑞医药股份有限公司 2017-05-31 CN disclosed
WO-2016127790-A1 LIGAND-CYTOTOXICITY DRUG CONJUGATE, PREPARING METHOD THEREFOR, AND APPLICATION THEREOF 江苏恒瑞医药股份有限公司 2016-08-18 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 (1 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-20180177890-A1 LIGAND-CYTOTOXIC DRUG CONJUGATE, PREPARATION METHOD THEREOF, AND USE THEREOF LDLR, SELPLG, FOLR1 SLC7A5 1738/4885PNMT 2778/4885CTSL 77/4885

“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.