SCHEMBL23389146

SCHEMBL23389146

C=CS(=O)(=O)N[C@@H]1CCCN(Cc2nc3cc(OC(F)(F)F)c(F)cc3[nH]2)C1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 1/20 0.37
▸ ROCK2 O75116 1/20 0.36
▸ DDR1 Q08345 14/20 0.36
▸ S1PR2 O95136 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ PDE2A O00408 1/20 0.33
▸ GRIN1 Q05586 1/20 0.33
▸ GRIN2B Q13224 1/20 0.33

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
SCHEMBL23389149 1.00 BTK (0.37) BTKROCK2DDR1S1PR2KDM4E
SCHEMBL23389186 0.86 ROCK2 (0.45) BTKROCK2DDR1KDM4EALDH1A1
SCHEMBL23389189 0.86 ROCK2 (0.45) BTKROCK2DDR1KDM4EALDH1A1
SCHEMBL25987671 0.86 BTK (0.38) BTKROCK2DDR1PDE2A
SCHEMBL23419041 0.86 ROCK2 (0.37) ROCK2DDR1S1PR2KDM4EALDH1A1
SCHEMBL25987724 0.81 HRH4 (0.40) BTK
SCHEMBL23419001 0.80 ALDH1A1 (0.36) ROCK2S1PR2KDM4EALDH1A1HPGD
SCHEMBL23419006 0.77 ALDH1A1 (0.55) KDM4EALDH1A1HPGDHSD17B10GRIN1
SCHEMBL23389097 0.76 ROCK2 (0.44) BTKROCK2DDR1KDM4E
SCHEMBL23389100 0.76 ROCK2 (0.44) BTKROCK2DDR1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250263366-A2 CASPASE 6 INHIBITORS AND USES THEREOF SHANGPHARMA INNOVATION INC. 2025-08-21 — — US disclosed
US-20230202974-A1 CASPASE 6 INHIBITORS AND USES THEREOF UNIV CALIFORNIA (US) 2023-06-29 — — US disclosed
US-20230202974-A1 CASPASE 6 INHIBITORS AND USES THEREOF UNIV CALIFORNIA (US) 2023-06-29 — — US disclosed
CN-115335039-A Caspase 6 inhibitors and uses thereof 加利福尼亚大学董事会 2022-11-11 — — CN disclosed
EP-4061341-A1 CASPASE 6 INHIBITORS AND USES THEREOF The Regents of the University of California (US) 2022-09-28 — — EP disclosed
WO-2021102361-A1 CASPASE 6 INHIBITORS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-05-27 — — WO disclosed
WO-2021102361-A1 CASPASE 6 INHIBITORS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-05-27 — — 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 (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-20230202974-A1 CASPASE 6 INHIBITORS AND USES THEREOF CASP6, CASP1, CASP10 BTK 3023/4885ROCK2 3549/4885DDR1 1956/4885
US-20250263366-A2 CASPASE 6 INHIBITORS AND USES THEREOF CASP6, CASP1, CASP10 BTK 3023/4885ROCK2 3549/4885DDR1 1956/4885

“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.

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