SCHEMBL14535477

SCHEMBL14535477

CCOC(=O)C(C)(N)CSCc1ccc(OC)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.43
GLA P06280 1/20 0.43
ALDH1A1 P00352 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
PKM P14618 1/20 0.43
IDO1 P14902 2/20 0.42
ACE P12821 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
GAA P10253 1/20 0.41
ATM Q13315 1/20 0.41
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 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
SCHEMBL7816915 0.78 ALDH1A1 (0.48) KMT2AGLAALDH1A1SMN1; SMN2PKM
SCHEMBL3031214 0.77 PPARG (0.48) ALDH1A1SMN1; SMN2PKMIDO1ACE
SCHEMBL3026074 0.77 PPARG (0.48) ALDH1A1SMN1; SMN2PKMIDO1ACE
SCHEMBL3029296 0.77 PPARG (0.51) ALDH1A1SMN1; SMN2PKMIDO1ACE
SCHEMBL7827480 0.76 GAA (0.53) KMT2AGLAALDH1A1SMN1; SMN2PKM
SCHEMBL3416831 0.76 ACE (0.46) KMT2AGLAALDH1A1SMN1; SMN2PKM
Hydrochloric Acid SCHEMBL3416832 0.75 IDO1 (0.46) KMT2AGLAALDH1A1SMN1; SMN2PKM
Hydrochloric Acid SCHEMBL3416827 0.75 IDO1 (0.46) KMT2AGLAALDH1A1SMN1; SMN2PKM
SCHEMBL7352199 0.75 SMN1; SMN2 (0.48) KMT2AALDH1A1SMN1; SMN2PKMIDO1
SCHEMBL9166221 0.75 PPARA (0.50) ALDH1A1SMN1; SMN2PKMIDO1ACE

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-8765955-B2 Asymmetric aldol additions using bifunctional cinchona-alkaloid-based catalysts BRANDEIS UNIVERSITY (US) 2014-07-01 US disclosed
US-20070112199-A1 Asymmetric aldol additions using bifunctional cinchona-alkaloid-based catalysts BRANDEIS UNIVERSITY (US) 2007-05-17 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-20070112199-A1 Asymmetric aldol additions using bifunctional cinchona-alkaloid-based catalysts AKR1C2, AKR1A1, AKR1B1 KMT2A 622/4885GLA 2341/4885ALDH1A1 45/4885

“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.