SCHEMBL22380463

SCHEMBL22380463

CC(C)(C)OC(=O)NC1(C#N)CC(F)(F)C1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSL P07711 4/20 0.48
CTSK P43235 9/20 0.36
CTSS P25774 8/20 0.36
CTSB P07858 3/20 0.35
MEN1 O00255 1/20 0.34
MAPK1 P28482 1/20 0.34
KMT2A Q03164 1/20 0.34
APLNR P35414 1/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32
DPP8 Q6V1X1 1/20 0.32
DPP9 Q86TI2 1/20 0.32
TRPA1 O75762 1/20 0.32
CTSD P07339 1/20 0.32

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
SCHEMBL21398708 0.84 CTSL (0.36) CTSLCTSKCTSSMEN1MAPK1
SCHEMBL2394821 0.83 CTSL (0.59) CTSLCTSKCTSSCTSBMEN1
SCHEMBL1586413 0.80 CTSL (0.53) CTSLCTSKCTSSCTSBMEN1
SCHEMBL29056863 0.77 CTSL (0.51) CTSLCTSKCTSSCTSBMEN1
SCHEMBL22380386 0.77 CTSL (0.40) CTSLMEN1MAPK1KMT2AAPLNR
SCHEMBL14499840 0.76 CTSL (0.50) CTSLCTSKCTSSCTSBCTSD
SCHEMBL31714895 0.75 CTSL (0.38) CTSLCTSKCTSSCTSBMEN1
SCHEMBL23863121 0.74 CTSL (0.42) CTSLCTSKCTSSCTSBMEN1
SCHEMBL23863123 0.74 CTSL (0.45) CTSLCTSKCTSSCTSBMEN1
SCHEMBL23863206 0.74 CTSL (0.42) CTSLCTSKCTSSMEN1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230097871-A1 UREA COMPOUND FOR ANTAGONIZING LPA1 RECEPTOR TAISHO PHARMACEUTICAL CO., LTD. (JP) 2023-03-30 US disclosed
EP-4008405-A1 UREA COMPOUND FOR ANTAGONIZING LPA1 RECEPTOR Taisho Pharmaceutical Co., Ltd. (JP) 2022-06-08 EP disclosed
US-20200268730-A1 AMIDE DERIVATIVES USEFUL IN THE TREATMENT OF HBV INFECTION OR HBV-INDUCED DISEASES JANSSEN PHARMACEUTICA NV (BE) 2020-08-27 US 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-20230097871-A1 UREA COMPOUND FOR ANTAGONIZING LPA1 RECEPTOR LPAR1, LPAR2, LPAR3 CTSL 3735/4885CTSK 3651/4885CTSS 4024/4885
US-20200268730-A1 AMIDE DERIVATIVES USEFUL IN THE TREATMENT OF HBV INFECTION OR HBV-INDUCED DISEASES HDGF, FABP1, NR1H4 CTSL 1754/4885CTSK 2291/4885CTSS 3084/4885

“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.