SCHEMBL14354039

SCHEMBL14354039

CC(C)(C)N(/C=C\C(=O)c1cccc(NS(C)(=O)=O)c1)Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 3/20 0.50
▸ ALDH1A1 P00352 2/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ POLB P06746 1/20 0.45
▸ PTPN1 P18031 1/20 0.43
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ NR3C2 P08235 1/20 0.41

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
SCHEMBL14354040 1.00 NR3C1 (0.50) NR3C1ALDH1A1SMN1; SMN2POLBPTPN1
SCHEMBL15238695 0.73 NR3C1 (0.56) NR3C1ALDH1A1SMN1; SMN2POLBMEN1
SCHEMBL9779623 0.69 HDAC3 (0.57) ALDH1A1SMN1; SMN2POLBPTPN1MEN1
SCHEMBL9779620 0.69 HDAC3 (0.57) ALDH1A1SMN1; SMN2POLBPTPN1MEN1
SCHEMBL11705518 0.69 CA1 (0.71) ALDH1A1SMN1; SMN2POLBKMT2A
SCHEMBL29522198 0.69 ALDH1A1 (0.75) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL1677059 0.69 ALDH1A1 (0.75) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL1884704 0.69 MAPT (0.55) ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL1884705 0.69 MAPT (0.55) ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL13719532 0.68 ALDH1A1 (0.69) NR3C1ALDH1A1SMN1; SMN2POLBPTPN1

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-8981122-B2 Method for producing optically active N-monoalkyl-3-hydroxy-3-arylpropylamine compound SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 2015-03-17 — — US disclosed
US-20130005992-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE N-MONOALKYL-3-HYDROXY-3-ARYLPROPYLAMINE COMPOUND SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 2013-01-03 — — 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-20130005992-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE N-MONOALKYL-3-HYDROXY-3-ARYLPROPYLAMINE COMPOUND AHR, NAT1, AANAT NR3C1 2102/4885ALDH1A1 248/4885SMN1; SMN2 4679/4885

“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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