SCHEMBL21470599

SCHEMBL21470599

CN(C(=O)OC(C)(C)C)C(=O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
ALDH1A1 P00352 3/20 0.44
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
HDAC3 O15379 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
NCOR2 Q9Y618 1/20 0.44
POLB P06746 1/20 0.44
HPGD P15428 1/20 0.42
HSD11B1 P28845 1/20 0.42
USP30 Q70CQ3 1/20 0.40
KMT2A Q03164 4/20 0.40
PKM P14618 1/20 0.40
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
MEN1 O00255 3/20 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
SCHEMBL2968544 0.84 ALDH1A1 (0.41) ALDH1A1TDP1HDAC3HDAC1HDAC2
SCHEMBL30616197 0.84 ALDH1A1 (0.46) CYP1A2CYP2D6CYP2C19ALDH1A1TSHR
SCHEMBL10073706 0.83 KMT2A (0.41) CYP1A2CYP2C19ALDH1A1HDAC3HDAC1
SCHEMBL28330209 0.81 CYP1A2 (0.35) CYP1A2CYP2D6CYP2C19ALDH1A1TSHR
SCHEMBL4514786 0.81 ALDH1A1 (0.43) CYP1A2CYP2D6CYP2C19ALDH1A1TSHR
SCHEMBL7867086 0.79 TSHR (0.52) ALDH1A1TSHRTDP1HDAC1POLB
SCHEMBL25984799 0.79 ALDH1A1 (0.42) CYP2C19ALDH1A1TSHRHSD17B10TDP1
SCHEMBL2220361 0.78 ALDH1A1 (0.55) ALDH1A1TSHRPOLBHPGDHSD11B1
SCHEMBL4514669 0.77 POLB (0.43) CYP1A2CYP2D6CYP2C19ALDH1A1TSHR
SCHEMBL14636054 0.76 TDP1 (0.50) CYP1A2CYP2D6CYP2C19ALDH1A1TSHR

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11753392-B2 Method for synthesis of deuterated amide and deuterated sulfonamide HINOVA PHARMACEUTICALS INC. (CN) 2023-09-12 US disclosed
US-11753392-B2 Method for synthesis of deuterated amide and deuterated sulfonamide HINOVA PHARMACEUTICALS INC. (CN) 2023-09-12 US disclosed
US-20210115009-A1 METHOD FOR SYNTHESIS OF DEUTERATED AMIDE AND DEUTERATED SULFONAMIDE HINOVA PHARMACEUTICALS INC. (CN) 2021-04-22 US disclosed
EP-3778538-A1 NOVEL METHOD FOR SYNTHESIZING DEUTERATED AMIDES AND DEUTERATED SULFONAMIDES Hinova Pharmaceuticals Inc. (CN) 2021-02-17 EP disclosed
WO-2019196945-A1 NOVEL METHOD FOR SYNTHESIZING DEUTERATED AMIDES AND DEUTERATED SULFONAMIDES 成都海创药业有限公司 2019-10-17 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-20210115009-A1 METHOD FOR SYNTHESIS OF DEUTERATED AMIDE AND DEUTERATED SULFONAMIDE SRM, NAAA, SNRPD2 CYP1A2 2536/4885CYP2D6 1517/4885CYP2C19 4095/4885
US-11753392-B2 Method for synthesis of deuterated amide and deuterated sulfonamide SRM, NAAA, SNRPD2 CYP1A2 2536/4885CYP2D6 1517/4885CYP2C19 4095/4885

“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.