SCHEMBL1400540

SCHEMBL1400540

CC(C)(C)[Si](C)(C)OCCCNc1nc(Cl)c(C#N)cc1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KHK P50053 1/20 0.39
BCHE P06276 3/20 0.38
ACHE P22303 3/20 0.38
ALDH1A1 P00352 11/20 0.32
KDM4E B2RXH2 10/20 0.32
HPGD P15428 6/20 0.32
MAPT P10636 6/20 0.32
GAA P10253 3/20 0.32
RAB9A P51151 2/20 0.32
HTT P42858 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
HSD17B10 Q99714 1/20 0.32
NPC1 O15118 1/20 0.32
PGK1 P00558 1/20 0.32
L3MBTL1 Q9Y468 3/20 0.32
LMNA P02545 2/20 0.32
POLB P06746 1/20 0.31
RECQL P46063 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL12798892 0.80
SCHEMBL1400633 0.77 KHK (0.48) KHKBCHEACHEALDH1A1KDM4E
SCHEMBL1400415 0.77 KHK (0.39) KHK
SCHEMBL14927613 0.77 KHK (0.50) KHKBCHEACHEALDH1A1KDM4E
SCHEMBL2539243 0.76 KHK (0.49) KHKBCHEACHEALDH1A1PGK1
SCHEMBL1999624 0.75 ALDH1A1 (0.46) ALDH1A1KMT2AL3MBTL1
SCHEMBL14923677 0.75 KHK (0.55) KHKBCHEACHEALDH1A1KDM4E
SCHEMBL14909350 0.75 KHK (0.54) KHKALDH1A1PGK1POLBSMN1; SMN2
SCHEMBL14923497 0.74 TRPA1 (0.38) MEN1KMT2A
SCHEMBL7857463 0.74 KHK (0.53) KHKBCHEACHEALDH1A1KDM4E

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-7906653-B2 Indane acetic acid derivatives and their use as pharmaceutical agents, intermediates, and method of preparation BAYER HEALTHCARE LLC (US) 2011-03-15 US disclosed
EP-1578715-B1 INDANE ACETIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICAL AGENTS, INTERMEDIATES, AND METHOD OF PREPARATION BAYER PHARMACEUTICALS CORP (US) 2011-03-02 EP disclosed
US-20100204472-A1 Indane acetic acid derivatives and their use as pharmaceutical agents, intermediates, and method of preparation CANTIN LOUIS-DAVID 2010-08-12 US disclosed
US-7714004-B2 Indane acetic acid derivatives and their use as pharmaceutical agents, intermediates, and method of preparation BAYER PHARMACEUTICALS CORPORATION (US) 2010-05-11 US disclosed
US-20060084680-A1 Indane acetic acid derivatives and their use as pharmaceutical agents, intermediates, and method of preparation BAYER PHARMACEUTICALS CORPORATION (US) 2006-04-20 US disclosed
EP-1578715-A2 INDANE ACETIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICAL AGENTS, INTERMEDIATES, AND METHOD OF PREPARATION Bayer Pharmaceuticals Corporation (US) 2005-09-28 EP disclosed
WO-2004058174-A2 INDANE ACETIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICAL AGENTS, INTERMEDIATES, AND METHOD OF PREPARATION BAYER PHARMACEUTICALS CORPORATION (US) 2004-07-15 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-20060084680-A1 Indane acetic acid derivatives and their use as pharmaceutical agents, intermediates, and method of preparation INSR, ACACA, IAPP KHK 896/4885BCHE 652/4885ACHE 196/4885
US-20100204472-A1 Indane acetic acid derivatives and their use as pharmaceutical agents, intermediates, and method of preparation INSR, ACACA, IAPP KHK 896/4885BCHE 652/4885ACHE 196/4885

“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.