SCHEMBL12640409

SCHEMBL12640409

CC(C)N(Cc1ccc(C(=O)N2CC3CCC(C)(C2)C3(C)C)cc1)S(=O)(=O)C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.38
HRH3 Q9Y5N1 3/20 0.35
LMNA P02545 2/20 0.33
HDAC6 Q9UBN7 2/20 0.33
ALDH1A1 P00352 2/20 0.33
HDAC3 O15379 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
LSS P48449 1/20 0.32
KMT2A Q03164 3/20 0.31
HDAC2 Q92769 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
HSD11B1 P28845 1/20 0.30
MMP1 P03956 1/20 0.30
MMP2 P08253 1/20 0.30
MMP9 P14780 1/20 0.30
MMP8 P22894 1/20 0.30
MMP13 P45452 1/20 0.30
SIGMAR1 Q99720 1/20 0.30
HPGD P15428 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
SCHEMBL12576932 0.89 HRH3 (0.37) CA2HRH3LMNAHDAC6ALDH1A1
SCHEMBL3811254 0.81 ALDH1A1 (0.36) CA2HRH3LMNAALDH1A1LSS
SCHEMBL3814369 0.76 HRH3 (0.39) HRH3ALDH1A1LSSKMT2ASMN1; SMN2
SCHEMBL3812022 0.75 HDAC1 (0.46) LMNAHDAC6ALDH1A1KMT2AHPGD
SCHEMBL3811818 0.75 AOC3 (0.40) HRH3LMNAALDH1A1KMT2ASMN1; SMN2
SCHEMBL4608059 0.75 NAMPT (0.36) CA2ALDH1A1HSD11B1SIGMAR1HPGD
SCHEMBL4608840 0.74 ALDH1A1 (0.38) CA2HRH3LMNAALDH1A1KMT2A
SCHEMBL3811439 0.73 LMNA (0.37) HRH3LMNAALDH1A1KMT2AHPGD
SCHEMBL3813374 0.73 KMT2A (0.40) ALDH1A1KMT2AHSD11B1HPGD
SCHEMBL3811384 0.72 CCR5 (0.40) HRH3ALDH1A1LSSKMT2ASMN1; SMN2

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-8871208-B2 11-β-hydroxysteroid dehydrogenase type 1 (11β-HSD1) inhibitors and uses thereof ABBVIE INC. (US) 2014-10-28 US disclosed
US-20110159005-A1 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 (11BETA-HSD1) INHIBITORS AND USES THEREOF ABBOTT LABORATORIES (US) 2011-06-30 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-20110159005-A1 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 (11BETA-HSD1) INHIBITORS AND USES THEREOF HSD11B1, HSD17B1, HSD11B2 CA2 2263/4885HRH3 944/4885LMNA 4087/4885

“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.