SCHEMBL1306708

SCHEMBL1306708

CS(=O)(=O)COCCn1cnc2cc(C(=O)O)ccc21

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 4/20 0.47
HPGD P15428 4/20 0.45
LMNA P02545 2/20 0.45
ALDH1A1 P00352 1/20 0.45
FGFR1 P11362 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
PLA2G4A P47712 1/20 0.44
HTT P42858 1/20 0.44
HSD17B10 Q99714 1/20 0.42
GAA P10253 1/20 0.42
KMT2A Q03164 1/20 0.42
TSHR P16473 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL1307471 0.89 FGFR1 (0.49) HPGDLMNAALDH1A1FGFR1SMN1; SMN2
SCHEMBL1307784 0.84 HCAR3 (0.52) HCAR3HPGDLMNAALDH1A1FGFR1
SCHEMBL3438336 0.83 HCAR3 (0.61) HCAR3HPGDLMNAALDH1A1FGFR1
SCHEMBL12053612 0.82 CNR2 (0.45) HPGD
SCHEMBL1306903 0.80 HPGD (0.42) HPGDLMNAALDH1A1SMN1; SMN2HTT
SCHEMBL15183085 0.79 BRD4 (0.47) HCAR3HPGDLMNAALDH1A1SMN1; SMN2
SCHEMBL30138443 0.79 HCAR3 (0.58) HCAR3HPGDLMNAALDH1A1FGFR1
SCHEMBL3436680 0.79 HCAR3 (0.58) HCAR3HPGDLMNAALDH1A1FGFR1
SCHEMBL15174662 0.78 HSD17B10 (0.44) HCAR3HPGDLMNAALDH1A1FGFR1
SCHEMBL2937848 0.78 HCAR3 (0.55) HCAR3HPGDLMNAALDH1A1FGFR1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090118259-A1 PHARMACEUTICAL USE OF SUBSTITUTED AMIDES HIGH POINT PHARMACEUTICALS, LLC 2009-05-07 US claimed
US-20110312949-A1 PHARMACEUTICAL USE OF SUBSTITUTED AMIDES HIGH POINT PHARMACEUTICALS, LLC (US) 2011-12-22 US disclosed
US-8053431-B2 Pharmaceutical use of substituted amides HIGH POINT PHARMACEUTICALS, LLC (US) 2011-11-08 US disclosed
US-20090118259-A1 PHARMACEUTICAL USE OF SUBSTITUTED AMIDES HIGH POINT PHARMACEUTICALS, LLC 2009-05-07 US disclosed
CN-101355938-A Pharmaceutical use of substituted amides TRANSTECH PHARMA INC (US) 2009-01-28 CN disclosed
EP-1945207-A2 PHARMACEUTICAL USE OF SUBSTITUTED AMIDES Transtech Pharma, Inc. (US) 2008-07-23 EP disclosed
WO-2007051811-A2 PHARMACEUTICAL USE OF SUBSTITUTED AMIDES TRANSTECH PHARMA (US) 2007-05-10 WO 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-20090118259-A1 PHARMACEUTICAL USE OF SUBSTITUTED AMIDES HSD11B1, CYP11B1, HSD11B2 HCAR3 506/4885HPGD 27/4885LMNA 3649/4885
US-20110312949-A1 PHARMACEUTICAL USE OF SUBSTITUTED AMIDES HSD11B1, HSD3B1, HSD11B2 HCAR3 488/4885HPGD 28/4885LMNA 3468/4885

“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.