SCHEMBL26567801

SCHEMBL26567801

Cc1ccc2sc(C3CC4(CC(NC(=O)CC5CCC(=O)N5)C4)C3)nc2c1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ FASN P49327 1/20 0.37
▸ DYRK1A Q13627 1/20 0.34
▸ LIPG Q9Y5X9 5/20 0.33
▸ UBE2M P61081 3/20 0.33
▸ DCUN1D1 Q96GG9 3/20 0.33
▸ LMNA P02545 2/20 0.33
▸ IRAK4 Q9NWZ3 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ ALOX12 P18054 1/20 0.33
▸ HDAC4 P56524 2/20 0.33
▸ TP53 P04637 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ THRB P10828 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ IDH1 O75874 1/20 0.32
▸ PDCD1LG2 Q9BQ51 1/20 0.31
▸ CD274 Q9NZQ7 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
SCHEMBL29700417 0.90 NPC1 (0.43) FASNLIPGLMNAALDH1A1TP53
SCHEMBL26185573 0.90 NPC1 (0.43) FASNLIPGLMNAALDH1A1TP53
SCHEMBL26567770 0.80 DYRK1A (0.36) DYRK1AUBE2MDCUN1D1LMNAALDH1A1
SCHEMBL26567777 0.80 DYRK1A (0.35) DYRK1AUBE2MDCUN1D1LMNAALDH1A1
SCHEMBL24478917 0.79 NPC1 (0.48) FASNLIPGLMNATP53MAPT
SCHEMBL26567808 0.74 DYRK1A (0.38) DYRK1AUBE2MDCUN1D1LMNAALDH1A1
SCHEMBL26567751 0.73 DYRK1A (0.38) DYRK1AUBE2MDCUN1D1LMNAALDH1A1
SCHEMBL26567794 0.73 EPHX2 (0.38) DYRK1AUBE2MDCUN1D1LMNAALDH1A1
SCHEMBL26567817 0.73 UBE2M (0.34) DYRK1AUBE2MDCUN1D1LMNAALDH1A1
SCHEMBL26567756 0.73 DYRK1A (0.36) DYRK1AUBE2MDCUN1D1LMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230331715-A1 SPIRO[3.3]HEPTANE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN-LA ROCHE INC. (US) 2023-10-19 — — 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 (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-20230331715-A1 SPIRO[3.3]HEPTANE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HAVCR2, NR1I3, NR1H4 FASN 2941/4885DYRK1A 4673/4885LIPG 3938/4885

“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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