SCHEMBL14277994

SCHEMBL14277994

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

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SLC40A1 Q9NP59 1/20 0.41
▸ PKM P14618 1/20 0.38
▸ POLB P06746 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ HPGD P15428 1/20 0.35
▸ HTT P42858 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ P2RX4 Q99571 1/20 0.33
▸ P2RX7 Q99572 1/20 0.33
▸ MAOA P21397 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ BRS3 P32247 1/20 0.33

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
SCHEMBL14277995 0.89 HTR6 (0.37) SLC40A1LMNATSHRKMT2ACYP3A4
SCHEMBL14278278 0.88 MAPT (0.40) POLBALDH1A1SMN1; SMN2HPGDHTT
SCHEMBL14278281 0.84 KMT2A (0.32) LMNATSHRKMT2ACYP3A4P2RX4
SCHEMBL14364337 0.84 SLC40A1 (0.39) SLC40A1PKMPOLBALDH1A1SMN1; SMN2
SCHEMBL14278279 0.84 BRS3 (0.41) POLBALDH1A1HPGDKMT2AP2RX7
SCHEMBL14278294 0.83 METAP2 (0.36) SLC40A1LMNATSHRKMT2ACYP3A4
SCHEMBL14277993 0.81 NPC1 (0.39) POLBLMNAKMT2A
SCHEMBL14278276 0.81 HTR6 (0.36) LMNATSHRCYP3A4CA1CA2
SCHEMBL14135646 0.80 KMT2A (0.46) POLBALDH1A1TSHRHPGDKMT2A
SCHEMBL14277992 0.79 MEN1 (0.36) POLBSMN1; SMN2LMNATSHRKMT2A

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 SLC40A1 729/4885PKM 987/4885POLB 419/4885
US-20070265281-A1 Organic Compounds and Their Uses OAT, OTC, AOX1 SLC40A1 729/4885PKM 987/4885POLB 419/4885

“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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