SCHEMBL14277995

SCHEMBL14277995

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

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 1/20 0.37
▸ BRS3 P32247 1/20 0.34
▸ METAP2 P50579 2/20 0.33
▸ CA1 P00915 1/20 0.32
▸ CA2 P00918 1/20 0.32
▸ P2RX4 Q99571 1/20 0.32
▸ P2RX7 Q99572 1/20 0.32
▸ TET3 O43151 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ FBXL19 Q6PCT2 1/20 0.31
▸ CXXC5 Q7LFL8 1/20 0.31
▸ KDM2B Q8NHM5 1/20 0.31
▸ CXXC4 Q9H2H0 1/20 0.31
▸ KDM2A Q9Y2K7 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ SLC40A1 Q9NP59 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
SCHEMBL14277994 0.89 SLC40A1 (0.41) BRS3CA1CA2P2RX4P2RX7
SCHEMBL14278278 0.86 MAPT (0.40) CA1CA2KMT2ACYP3A4
SCHEMBL14278281 0.85 KMT2A (0.32) CA1CA2P2RX4P2RX7TET3
SCHEMBL1013915 0.85 HTR6 (0.36) HTR6BRS3METAP2CA1CA2
SCHEMBL1013917 0.85 HTR6 (0.36) HTR6BRS3METAP2CA1CA2
SCHEMBL14278279 0.85 BRS3 (0.41) BRS3METAP2P2RX7KMT2A
SCHEMBL14278294 0.84 METAP2 (0.36) HTR6METAP2CA1CA2TET3
Hydrochloric Acid SCHEMBL1017420 0.84 HTR6 (0.35) HTR6BRS3METAP2CA1CA2
SCHEMBL14364350 0.84 HTR6 (0.38) HTR6BRS3METAP2CA1CA2
Hydrochloric Acid SCHEMBL1017421 0.84 HTR6 (0.35) HTR6BRS3METAP2CA1CA2

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
US-20080045530-A1 Organic Compounds and Their Uses BRANDL TRIXI 2008-02-21 — — US disclosed
US-20080045530-A1 Organic Compounds and Their Uses BRANDL TRIXI 2008-02-21 — — US disclosed
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 (2 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-20080045530-A1 Organic Compounds and Their Uses OAT, OTC, AOX1 HTR6 1155/4885BRS3 3419/4885METAP2 1061/4885
US-20070265281-A1 Organic Compounds and Their Uses OAT, OTC, AOX1 HTR6 1155/4885BRS3 3419/4885METAP2 1061/4885

“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.

Send feedback