SCHEMBL14278280

SCHEMBL14278280

C=C[C@@H]1C[C@]1(C)C(=O)NS(=O)(=O)c1cccnc1N

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CFTR P13569 3/20 0.38
▸ NR3C1 P04150 3/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ ESR1 P03372 1/20 0.32
▸ PGR P06401 1/20 0.32
▸ AR P10275 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ SMYD3 Q9H7B4 1/20 0.32
▸ GRM5 P41594 1/20 0.31
▸ P2RX7 Q99572 1/20 0.31
▸ SLC40A1 Q9NP59 1/20 0.31
▸ NAPRT Q6XQN6 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.30
▸ PKLR P30613 1/20 0.30
▸ PRKCI P41743 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
SCHEMBL14307933 0.86 MEN1 (0.38) NR3C1ALDH1A1ESR1PGRAR
SCHEMBL14278024 0.85 ALDH1A1 (0.46) ALDH1A1SLC40A1KDM4EPKLR
SCHEMBL14307935 0.85 NR3C1 (0.31) NR3C1ALDH1A1ESR1PGRAR
SCHEMBL14307938 0.85 CFTR (0.37) CFTRALDH1A1MEN1KMT2ASMYD3
SCHEMBL14278294 0.84 METAP2 (0.36) MEN1KMT2ASLC40A1
SCHEMBL14278286 0.81 RAB9A (0.46) MEN1KMT2A
SCHEMBL14278281 0.80 KMT2A (0.32) CFTRNR3C1ESR1PGRAR
SCHEMBL14278287 0.80 BRS3 (0.37) ALDH1A1MEN1KMT2AKDM4E
SCHEMBL14278023 0.80 NLRP3 (0.42) NAPRTKDM4E
SCHEMBL14135646 0.78 KMT2A (0.46) ALDH1A1KMT2AKDM4E

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 2 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-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 CFTR 186/4885NR3C1 788/4885ALDH1A1 135/4885
US-20070265281-A1 Organic Compounds and Their Uses OAT, OTC, AOX1 CFTR 186/4885NR3C1 788/4885ALDH1A1 135/4885

“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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