SCHEMBL23389186

SCHEMBL23389186

C=CS(=O)(=O)N[C@@H]1CCCN(Cc2nc3cc(OC(F)(F)F)ccc3[nH]2)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 4/20 0.45
▸ DDR1 Q08345 5/20 0.37
▸ MCHR1 Q99705 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ CCR2 P41597 1/20 0.34
▸ ROCK1 Q13464 1/20 0.34
▸ CACNA1G O43497 1/20 0.34
▸ CACNA1B Q00975 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ BTK Q06187 4/20 0.34
▸ HTT P42858 1/20 0.34
▸ BCHE P06276 1/20 0.34
▸ ACHE P22303 1/20 0.34
▸ BACE1 P56817 1/20 0.34
▸ PDE2A O00408 1/20 0.34
▸ GRIN1 Q05586 1/20 0.34
▸ GRIN2B Q13224 1/20 0.34

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
SCHEMBL23389189 1.00 ROCK2 (0.45) ROCK2DDR1MCHR1KDM4EALDH1A1
SCHEMBL23389149 0.86 BTK (0.37) ROCK2DDR1KDM4EALDH1A1HPGD
SCHEMBL23389146 0.86 BTK (0.37) ROCK2DDR1KDM4EALDH1A1HPGD
SCHEMBL23389100 0.85 ROCK2 (0.44) ROCK2DDR1MCHR1KDM4EBTK
SCHEMBL23389097 0.85 ROCK2 (0.44) ROCK2DDR1MCHR1KDM4EBTK
SCHEMBL25991336 0.77 HPGD (0.60) KDM4EALDH1A1HPGDHSD17B10CACNA1G
SCHEMBL25987671 0.75 BTK (0.38) ROCK2DDR1BTKPDE2A
SCHEMBL23389211 0.74 EPHX2 (0.42) ROCK2ACHE
SCHEMBL23389214 0.74 EPHX2 (0.42) ROCK2ACHE
SCHEMBL23389188 0.74 KMT2A (0.52) KDM4EALDH1A1HPGD

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 8 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
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 ROCK2 3549/4885DDR1 1956/4885MCHR1 4679/4885
US-20250263366-A2 CASPASE 6 INHIBITORS AND USES THEREOF CASP6, CASP1, CASP10 ROCK2 3549/4885DDR1 1956/4885MCHR1 4679/4885

“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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