SCHEMBL19664147

SCHEMBL19664147

CC(C)(C)OC(=O)C(N)Cc1cccs1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSC P53634 10/20 0.55
CTSK P43235 2/20 0.49
CTSS P25774 1/20 0.49
CYP2C19 P33261 1/20 0.49
RAB9A P51151 1/20 0.47
SLC1A3 P43003 1/20 0.43
SLC1A2 P43004 1/20 0.43
SLC1A1 P43005 1/20 0.43
DPP4 P27487 1/20 0.41
DPP8 Q6V1X1 1/20 0.41
DPP9 Q86TI2 1/20 0.41
RIPK1 Q13546 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
SCHEMBL18023562 1.00 CTSC (0.55) CTSCCTSKCTSSCYP2C19RAB9A
SCHEMBL487474 0.84 CTSK (0.53) CTSCCTSKCTSSCYP2C19RAB9A
SCHEMBL2058609 0.83 CTSC (0.59) CTSCCTSSCYP2C19RAB9ASLC1A3
SCHEMBL1631750 0.83 CTSC (0.59) CTSCCTSSCYP2C19RAB9ASLC1A3
SCHEMBL19699149 0.83 CTSC (0.59) CTSCCTSSCYP2C19RAB9ASLC1A3
Hydrochloric Acid SCHEMBL7066923 0.82 CTSC (0.58) CTSCCTSSCYP2C19RAB9ASLC1A3
Hydrochloric Acid SCHEMBL28362983 0.82 CTSC (0.58) CTSCCTSSCYP2C19RAB9ASLC1A3
SCHEMBL20543720 0.82 CTSC (0.55) CTSCCTSSCYP2C19RAB9ASLC1A3
Hydrochloric Acid SCHEMBL2524346 0.82 CTSC (0.58) CTSCCTSSCYP2C19RAB9ASLC1A3
Hydrochloric Acid SCHEMBL29780783 0.81 CTSC (0.53) CTSCCTSSCYP2C19RAB9ASLC1A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 CTSC 1847/4885CTSK 2128/4885CTSS 1724/4885

“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.