SCHEMBL14278281

SCHEMBL14278281

C=C[C@@H]1C[C@]1(C)C(=O)NS(=O)(=O)c1ccccc1O

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.32
▸ TET3 O43151 1/20 0.32
▸ FBXL19 Q6PCT2 1/20 0.32
▸ CXXC5 Q7LFL8 1/20 0.32
▸ KDM2B Q8NHM5 1/20 0.32
▸ CXXC4 Q9H2H0 1/20 0.32
▸ KDM2A Q9Y2K7 1/20 0.32
▸ ACLY P53396 3/20 0.32
▸ ABCC9 O60706 1/20 0.32
▸ ABCC8 Q09428 1/20 0.32
▸ KCNJ11 Q14654 1/20 0.32
▸ KCNJ8 Q15842 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ CFTR P13569 1/20 0.31
▸ KDM4E B2RXH2 2/20 0.31
▸ P2RX4 Q99571 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
SCHEMBL14278294 0.86 METAP2 (0.36) KMT2ATET3FBXL19CXXC5KDM2B
SCHEMBL14277995 0.85 HTR6 (0.37) KMT2ATET3FBXL19CXXC5KDM2B
SCHEMBL14278276 0.84 HTR6 (0.36) LMNACYP3A4TSHRHSD11B1CA12
SCHEMBL14277994 0.84 SLC40A1 (0.41) KMT2ALMNACYP3A4TSHRP2RX4
SCHEMBL14135646 0.83 KMT2A (0.46) KMT2ATET3FBXL19CXXC5KDM2B
SCHEMBL14364314 0.83 P2RX4 (0.32) KMT2ATET3FBXL19CXXC5KDM2B
SCHEMBL14278279 0.82 BRS3 (0.41) KMT2AMEN1P2RX7CA12CA9
SCHEMBL14278003 0.82 CASP1 (0.46) CASP1
SCHEMBL14278278 0.82 MAPT (0.40) KMT2ACYP3A4MEN1CYP1A2CYP2D6
SCHEMBL14278280 0.80 CFTR (0.38) KMT2AMEN1CFTRKDM4EP2RX7

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 KMT2A 3407/4885TET3 535/4885FBXL19 4264/4885
US-20070265281-A1 Organic Compounds and Their Uses OAT, OTC, AOX1 KMT2A 3407/4885TET3 535/4885FBXL19 4264/4885

“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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