SCHEMBL19403370

SCHEMBL19403370

COc1ccc(CSCC(=O)OC(C)(C)C)cc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.56
PPARA Q07869 2/20 0.56
GAA P10253 1/20 0.52
MAPT P10636 2/20 0.50
KMT2A Q03164 1/20 0.47
ACE P12821 1/20 0.47
ALDH1A1 P00352 3/20 0.46
TP53 P04637 1/20 0.46
CYP1A2 P05177 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
KDM4E B2RXH2 1/20 0.45
LMNA P02545 1/20 0.45
RAB9A P51151 1/20 0.45
ATM Q13315 1/20 0.45
IDO1 P14902 2/20 0.45
PKM P14618 1/20 0.45

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
SCHEMBL20855643 0.84 PPARG (0.45) PPARGPPARAKMT2ALMNA
SCHEMBL19403466 0.84 PPARG (0.54) PPARGPPARAMAPTALDH1A1TP53
SCHEMBL5410393 0.83 GAA (0.61) GAAMAPTKMT2AACEALDH1A1
SCHEMBL19385925 0.83 TP53 (0.53) PPARGPPARAGAAMAPTKMT2A
SCHEMBL19403377 0.83 PPARG (0.55) PPARGPPARAGAAMAPTKMT2A
SCHEMBL6085105 0.83 GAA (0.53) PPARGPPARAGAAMAPTKMT2A
SCHEMBL19385923 0.82 PPARG (0.56) PPARGPPARAGAAMAPTCYP1A2
SCHEMBL498480 0.80 CYP1A2 (0.67) PPARGPPARAGAAMAPTKMT2A
SCHEMBL7387748 0.80 HTT (0.56) GAAKMT2AALDH1A1SMN1; SMN2ATM
SCHEMBL7334996 0.80 GAA (0.57) GAAMAPTKMT2AACEALDH1A1

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-10710061-B2 Ion pair catalysis of tungstate and molybdate NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2020-07-14 US disclosed
US-10710061-B2 Ion pair catalysis of tungstate and molybdate NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2020-07-14 US disclosed
US-20190105646-A1 ION PAIR CATALYSIS OF TUNGSTATE AND MOLYBDATE NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2019-04-11 US disclosed
WO-2017164813-A1 ION PAIR CATALYSIS OF TUNGSTATE AND MOLYBDATE NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2017-09-28 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-10710061-B2 Ion pair catalysis of tungstate and molybdate PRDX3, PRDX4, PRDX2 PPARG 4299/4885PPARA 3580/4885GAA 3971/4885
US-20190105646-A1 ION PAIR CATALYSIS OF TUNGSTATE AND MOLYBDATE PRDX3, PRDX4, PRDX6 PPARG 4425/4885PPARA 3675/4885GAA 4168/4885

“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.