SCHEMBL31332950

SCHEMBL31332950

CCn1cnc(C(F)(F)F)c1CSc1nc2c(c(=O)[nH]1)COC2

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 7/20 0.37
▸ CYP1A2 P05177 2/20 0.37
▸ CYP2C9 P11712 2/20 0.37
▸ CYP2C19 P33261 2/20 0.37
▸ MMP13 P45452 2/20 0.37
▸ LMNA P02545 2/20 0.37
▸ MAPT P10636 3/20 0.36
▸ DAO P14920 1/20 0.35
▸ SPR P35270 3/20 0.35
▸ TP53 P04637 3/20 0.35
▸ TSHR P16473 1/20 0.34
▸ MAPK1 P28482 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
SCHEMBL31332972 0.86 HPGD (0.43) HPGDCYP1A2CYP2C9CYP2C19MMP13
Trifluoroacetic Acid SCHEMBL31332855 0.84 HPGD (0.47) HPGDCYP1A2CYP2C9CYP2C19MMP13
Trifluoroacetic Acid SCHEMBL31333027 0.81 DAO (0.36) HPGDCYP1A2CYP2C9CYP2C19MMP13
Trifluoroacetic Acid SCHEMBL31332926 0.80 SPR (0.33) HPGDCYP1A2CYP2C9CYP2C19MMP13
Trifluoroacetic Acid SCHEMBL31332889 0.79 DAO (0.36) HPGDCYP1A2CYP2C9CYP2C19MMP13
Trifluoroacetic Acid SCHEMBL31332839 0.77 TNKS2 (0.39) HPGDCYP1A2CYP2C9CYP2C19MMP13
SCHEMBL31333038 0.77 WNT3A (0.44) HPGDCYP1A2CYP2C9CYP2C19MMP13
SCHEMBL31150965 0.76 HPGD (0.43) HPGDCYP1A2CYP2C9CYP2C19MMP13
SCHEMBL31333064 0.74 MAPT (0.55) HPGDCYP1A2CYP2C9CYP2C19MMP13
SCHEMBL31332917 0.74 HPGD (0.58) HPGDCYP1A2CYP2C9CYP2C19MMP13

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
EP-4709374-A2 KCC2 POTENTIATORS AND USES THEREOF Axonis Therapeutics, Inc. (US) 2026-03-18 — — EP disclosed
US-20260062402-A1 KCC2 POTENTIATORS AND USES THEREOF AXONIS THERAPEUTICS INC (US) 2026-03-05 — — US disclosed
WO-2024233885-A2 KCC2 POTENTIATORS AND USES THEREOF AXONIS THERAPEUTICS, INC. (US) 2024-11-14 — — 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 (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-20260062402-A1 KCC2 POTENTIATORS AND USES THEREOF HCN2, HCN1, HCN4 HPGD 2024/4885CYP1A2 1523/4885CYP2C9 813/4885

“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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