SCHEMBL20827124

SCHEMBL20827124

O=C(O)C(=O)Nc1ccccc1C(F)(F)F

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.59
GAA P10253 1/20 0.58
RAB9A P51151 1/20 0.56
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
KDM4E B2RXH2 2/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
MAPK1 P28482 1/20 0.53
GPR35 Q9HC97 1/20 0.52
ALDH1A1 P00352 3/20 0.51
GRIK1 P39086 1/20 0.51
TSHR P16473 1/20 0.50

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
SCHEMBL1008398 0.85 POLB (0.63) POLBGAAMEN1KMT2AKDM4E
SCHEMBL30140772 0.84 GRIN2D (0.55) POLBGAARAB9AMEN1KMT2A
SCHEMBL3415036 0.84 RAB9A (0.58) POLBGAARAB9AMEN1KMT2A
SCHEMBL30152395 0.83 TAS2R14 (0.58) POLBGAARAB9AMEN1KMT2A
SCHEMBL23167346 0.83 TAS2R14 (0.58) POLBGAARAB9AMEN1KMT2A
SCHEMBL31598568 0.82 SMN1; SMN2 (0.56) POLBGAARAB9AMEN1KMT2A
SCHEMBL4422637 0.81 ALDH1A1 (0.55) POLBGAARAB9AKMT2AKDM4E
SCHEMBL30977630 0.81 ALDH1A1 (0.55) POLBGAARAB9AKMT2AKDM4E
SCHEMBL2092532 0.81 POLB (0.58) POLBGAARAB9AMEN1KMT2A
SCHEMBL167598 0.81 GRIN2D (0.60) POLBGAARAB9AMEN1KMT2A

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-10981860-B2 Caspase inhibitor and pharmaceutical composition, use and therapeutic method thereof CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2021-04-20 US disclosed
US-20190135733-A1 CASPASE INHIBITOR AND PHARMACEUTICAL COMPOSITION, USE AND THERAPEUTIC METHOD THEREOF CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2019-05-09 US disclosed
EP-3456711-A1 CASPASE INHIBITOR AND PHARMACEUTICAL COMPOSITION, USE AND THERAPEUTIC METHOD THEREOF Chia Tai Tianqing Pharmaceutical Group Co., Ltd. (CN) 2019-03-20 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-10981860-B2 Caspase inhibitor and pharmaceutical composition, use and therapeutic method thereof CASP1, CASP14, CASP2 POLB 2539/4885GAA 191/4885RAB9A 2065/4885
US-20190135733-A1 CASPASE INHIBITOR AND PHARMACEUTICAL COMPOSITION, USE AND THERAPEUTIC METHOD THEREOF CASP1, CASP14, CASP2 POLB 2539/4885GAA 191/4885RAB9A 2065/4885

“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.