SCHEMBL18912282

SCHEMBL18912282

CCCCNS(=O)(=O)c1ccc([C@@H]2[C@@H](CO)C2(C)C)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 7/20 0.46
HTT P42858 5/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
MAPT P10636 3/20 0.43
GAA P10253 1/20 0.43
ALOX12 P18054 1/20 0.43
ALDH1A1 P00352 8/20 0.42
TSHR P16473 2/20 0.42
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
TP53 P04637 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
POLB P06746 1/20 0.41
GPR55 Q9Y2T6 1/20 0.41
PKM P14618 1/20 0.40
NAMPT P43490 1/20 0.40
THRB P10828 1/20 0.40

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
SCHEMBL18912409 1.00 LMNA (0.46) LMNAHTTSMN1; SMN2MAPTGAA
SCHEMBL18906100 0.80 ALDH1A1 (0.43) LMNASMN1; SMN2MAPTALDH1A1TSHR
SCHEMBL18906101 0.80 ALDH1A1 (0.43) LMNASMN1; SMN2MAPTALDH1A1TSHR
SCHEMBL18912408 0.75 LMNA (0.47) LMNAHTTSMN1; SMN2MAPTGAA
SCHEMBL13296438 0.73 TSHR (0.63) LMNAHTTSMN1; SMN2GAAALDH1A1
SCHEMBL10908184 0.73 LMNA (0.59) LMNAHTTSMN1; SMN2MAPTGAA
SCHEMBL187922 0.71 ALDH1A1 (0.72) LMNAHTTSMN1; SMN2MAPTGAA
SCHEMBL17795416 0.71 LMNA (0.60) LMNAHTTSMN1; SMN2MAPTGAA
SCHEMBL4085333 0.70 CA12 (0.80) LMNAHTTSMN1; SMN2MAPTGAA
SCHEMBL3277847 0.70 ALDH1A1 (0.77) LMNAHTTSMN1; SMN2MAPTGAA

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-9994518-B2 Alpha-7 nicotinic acetylcholine receptor modulators and uses thereof MERCK SHARP & DOHME CORP. (US) 2018-06-12 US disclosed
US-20170152221-A1 ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS AND USES THEREOF MERCK SHARP & DOHME CORP. (US) 2017-06-01 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-20170152221-A1 ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS AND USES THEREOF CHRNA7, CHRNA10, CHRNA5 LMNA 4029/4885HTT 1117/4885SMN1; SMN2 1781/4885

“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.