SCHEMBL30279002

SCHEMBL30279002

COC1(C(F)(F)F)CCN(c2ccc(NCC3CCC(N)CC3)c(C)n2)CC1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KHK P50053 1/20 0.34
▸ HRH4 Q9H3N8 3/20 0.33
▸ PTGER4 P35408 2/20 0.33
▸ CCNT1 O60563 2/20 0.31
▸ CDK4 P11802 2/20 0.31
▸ CCND1 P24385 2/20 0.31
▸ CDK9 P50750 2/20 0.31
▸ CDK6 Q00534 2/20 0.31
▸ CDK11A Q9UQ88 2/20 0.31
▸ HRH3 Q9Y5N1 2/20 0.31
▸ PAK4 O96013 2/20 0.31
▸ PAK1 Q13153 2/20 0.31
▸ MALT1 Q9UDY8 2/20 0.31
▸ KMT5A Q9NQR1 1/20 0.31
▸ FLT3 P36888 1/20 0.30
▸ TYRO3 Q06418 1/20 0.30
▸ MERTK Q12866 1/20 0.30
▸ GAS6 Q14393 1/20 0.30

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
SCHEMBL25039812 1.00 KHK (0.34) KHKHRH4PTGER4CCNT1CDK4
SCHEMBL25039825 0.90 HRH4 (0.32) HRH4CCNT1CDK4CCND1CDK9
SCHEMBL25039946 0.85 HRH4 (0.33) HRH4CCNT1CDK4CCND1CDK9
SCHEMBL30279179 0.84 KHK (0.38) KHKHRH4PTGER4CCNT1CDK4
SCHEMBL25039350 0.84 KHK (0.38) KHKHRH4PTGER4CCNT1CDK4
SCHEMBL31206025 0.83 CKS1B (0.39) —
SCHEMBL30279264 0.82 TRPV3 (0.40) KHKHRH4CCNT1CDK4CCND1
SCHEMBL25039467 0.82 TRPV3 (0.40) KHKHRH4CCNT1CDK4CCND1
SCHEMBL25039996 0.79 CCNT1 (0.36) KHKHRH4CCNT1CDK4CCND1
SCHEMBL30279285 0.79 CCNT1 (0.36) KHKHRH4CCNT1CDK4CCND1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240360114-A1 FERROPTOSIS MODULATORS, PREPARATIONS, AND USES THEREOF Sironax Ltd. (KY) 2024-10-31 — — US disclosed
EP-4384493-A1 FERROPTOSIS MODULATORS, PREPARATIONS, AND USES THEREOF Sironax Ltd (KY) 2024-06-19 — — EP disclosed
CN-118076581-A Iron death modulators, their preparation and use 维泰瑞隆有限公司 2024-05-24 — — CN disclosed
WO-2023016447-A1 FERROPTOSIS MODULATORS, PREPARATIONS, AND USES THEREOF Sironax Ltd. (KY) 2023-02-16 — — 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-20240360114-A1 FERROPTOSIS MODULATORS, PREPARATIONS, AND USES THEREOF AIFM2, GPX1, GPX4 KHK 2616/4885HRH4 3558/4885PTGER4 932/4885

“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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