SCHEMBL14635548

SCHEMBL14635548

C[Si](C)(C)O[C@@H](CC#N)CSc1nnnn1-c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 14/20 0.52
▸ LMNA P02545 5/20 0.48
▸ MAPT P10636 3/20 0.48
▸ TSHR P16473 3/20 0.48
▸ SMN1; SMN2 Q16637 3/20 0.48
▸ HPGD P15428 2/20 0.48
▸ TDP1 Q9NUW8 3/20 0.46
▸ NPC1 O15118 2/20 0.46
▸ NFKB1 P19838 2/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ NFKB2 Q00653 2/20 0.46
▸ RELA Q04206 2/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ GAA P10253 1/20 0.46
▸ POLB P06746 3/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ PKM P14618 2/20 0.46
▸ HSD17B10 Q99714 1/20 0.43

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
SCHEMBL15879018 1.00 ALDH1A1 (0.52) ALDH1A1LMNAMAPTTSHRSMN1; SMN2
SCHEMBL14635219 0.80 ALDH1A1 (0.55) ALDH1A1LMNAMAPTTSHRSMN1; SMN2
SCHEMBL15878933 0.80 ALDH1A1 (0.55) ALDH1A1LMNAMAPTTSHRSMN1; SMN2
SCHEMBL11219399 0.79 ALDH1A1 (0.61) ALDH1A1LMNAMAPTTSHRSMN1; SMN2
SCHEMBL11126118 0.75 ALDH1A1 (0.65) ALDH1A1LMNAMAPTTSHRSMN1; SMN2
SCHEMBL10478322 0.74 ALDH1A1 (0.54) ALDH1A1LMNAMAPTTSHRSMN1; SMN2
SCHEMBL9180266 0.72 ALDH1A1 (0.61) ALDH1A1LMNAMAPTTSHRSMN1; SMN2
SCHEMBL21482675 0.70 ALDH1A1 (0.62) ALDH1A1LMNAMAPTTSHRSMN1; SMN2
SCHEMBL10448232 0.70 ALDH1A1 (1.00) ALDH1A1LMNAMAPTTSHRSMN1; SMN2
SCHEMBL21482463 0.69 ALDH1A1 (0.61) ALDH1A1LMNAMAPTTSHRSMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9303001-B2 Intermediate of statin drugs and preparation thereof SUNSHINE LAKE PHARMA CO., LTD. (CN) 2016-04-05 — — US disclosed
US-20140206883-A1 INTERMEDIATE OF STATIN DRUGS AND PREPARATION THEREOF YICHANG CHANGJIANG PHARMACEUTICAL CO., LTD. (CN) 2014-07-24 — — US disclosed
EP-2734513-A1 AN INTERMEDIATE OF STATIN DRUGS AND PREPARATION THEREOF Sunshine Lake Pharma Co., Ltd (CN) 2014-05-28 — — EP disclosed
WO-2013010488-A1 AN INTERMEDIATE OF STATIN DRUGS AND PREPARATION THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2013-01-24 — — 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 (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-20140206883-A1 INTERMEDIATE OF STATIN DRUGS AND PREPARATION THEREOF HMGCR, SULT1E1, CYP3A5 ALDH1A1 307/4885LMNA 553/4885MAPT 2789/4885

“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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