SCHEMBL5520448

SCHEMBL5520448

C=C[C@@H]1C[C@@]1(N)C(=O)NS(=O)(=O)c1ccccc1NC(C)C

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ METAP2 P50579 5/20 0.32
▸ BRS3 P32247 1/20 0.32
▸ P2RX4 Q99571 1/20 0.32
▸ P2RX7 Q99572 1/20 0.32
▸ SLC40A1 Q9NP59 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ CA1 P00915 2/20 0.31
▸ CA2 P00918 2/20 0.31
▸ ALK Q9UM73 1/20 0.30
▸ CETP P11597 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
SCHEMBL5520443 1.00 METAP2 (0.32) METAP2BRS3P2RX4P2RX7SLC40A1
SCHEMBL1013917 0.88 HTR6 (0.36) METAP2BRS3P2RX4P2RX7CA1
SCHEMBL1013915 0.88 HTR6 (0.36) METAP2BRS3P2RX4P2RX7CA1
Hydrochloric Acid SCHEMBL1017421 0.87 HTR6 (0.35) METAP2BRS3P2RX4P2RX7CA1
Hydrochloric Acid SCHEMBL1017420 0.87 HTR6 (0.35) METAP2BRS3P2RX4P2RX7CA1
SCHEMBL13223273 0.84 CA1 (0.42) LMNACA1CA2
SCHEMBL5528853 0.78 — —
SCHEMBL13792661 0.78 KMT2A (0.46) LMNACA1CA2
SCHEMBL14135672 0.78 KMT2A (0.46) LMNACA1CA2
SCHEMBL2805469 0.78 PTPRC (0.38) CA1CA2

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-20070265281-A1 Organic Compounds and Their Uses COTTENS SYLVAIN 2007-11-15 — — 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-20070265281-A1 Organic Compounds and Their Uses OAT, OTC, AOX1 METAP2 1061/4885BRS3 3419/4885P2RX4 2741/4885

“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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