SCHEMBL23547281

SCHEMBL23547281

COC(=O)C1(F)CCC(C(F)(F)F)CC1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.32
MAPT P10636 1/20 0.32
MMP1 P03956 1/20 0.31
SCN9A Q15858 1/20 0.31

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
SCHEMBL15536247 0.81 SCN9A (0.33) NPSR1MAPTMMP1SCN9A
SCHEMBL1809492 0.80 NPSR1 (0.32) NPSR1MAPTMMP1SCN9A
SCHEMBL1814156 0.80 NPSR1 (0.32) NPSR1MAPTMMP1SCN9A
SCHEMBL1814154 0.80 NPSR1 (0.32) NPSR1MAPTMMP1SCN9A
Hydrochloric Acid SCHEMBL1812447 0.79 NPSR1 (0.31) NPSR1MAPTMMP1
Hydrochloric Acid SCHEMBL1812451 0.79 NPSR1 (0.31) NPSR1MAPTMMP1
Hydrochloric Acid SCHEMBL1812449 0.79 NPSR1 (0.31) NPSR1MAPTMMP1
SCHEMBL7651820 0.77
SCHEMBL18208987 0.77 NPSR1 (0.34) NPSR1MAPT
SCHEMBL28540820 0.77 NPSR1 (0.34) NPSR1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11613532-B2 Compounds active towards nuclear receptors NUEVOLUTION A/S (DK) 2023-03-28 US disclosed
EP-4126875-A1 COMPOUNDS ACTIVE TOWARDS NUCLEAR RECEPTORS Nuevolution A/S (DK) 2023-02-08 EP disclosed
US-20220098182-A1 COMPOUNDS ACTIVE TOWARDS NUCLEAR RECEPTORS NUEVOLUTION A/S (DK) 2022-03-31 US disclosed
WO-2021198956-A1 COMPOUNDS ACTIVE TOWARDS NUCLEAR RECEPTORS NUEVOLUTION A/S (DK) 2021-10-07 WO disclosed
WO-2021198956-A1 COMPOUNDS ACTIVE TOWARDS NUCLEAR RECEPTORS NUEVOLUTION A/S (DK) 2021-10-07 WO disclosed
US-20210188775-A1 CARBOXAMIDE AND SULFONAMIDE DERIVATIVES USEFUL AS TEAD MODULATORS GENENTECH, INC. (US) 2021-06-24 US 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 (3 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-20220098182-A1 COMPOUNDS ACTIVE TOWARDS NUCLEAR RECEPTORS NCOA1, NR1H2, NCOA3 NPSR1 209/4885MAPT 3143/4885MMP1 4289/4885
US-11613532-B2 Compounds active towards nuclear receptors NCOA1, NR1H2, NCOA3 NPSR1 209/4885MAPT 3143/4885MMP1 4289/4885
US-20210188775-A1 CARBOXAMIDE AND SULFONAMIDE DERIVATIVES USEFUL AS TEAD MODULATORS TEAD2, TEAD1, SULT2A1 NPSR1 2440/4885MAPT 2066/4885MMP1 4718/4885

“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.