SCHEMBL22658229

SCHEMBL22658229

CC(C)C(C)(O)c1cccc(N)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.48
MAPK1 P28482 1/20 0.48
CYP3A4 P08684 3/20 0.41
CASP1 P29466 2/20 0.41
RECQL P46063 1/20 0.41
ALDH1A1 P00352 7/20 0.39
TDP1 Q9NUW8 2/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
NOS1 P29475 1/20 0.36
KDM4E B2RXH2 2/20 0.35
ENPP2 Q13822 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
F2 P00734 2/20 0.33
PRSS1 P07477 2/20 0.33

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
SCHEMBL471136 0.79 TSHR (0.56) TSHRMAPK1CYP3A4CASP1RECQL
SCHEMBL31263652 0.79 TSHR (0.56) TSHRMAPK1CYP3A4CASP1RECQL
SCHEMBL8432403 0.79 TSHR (0.56) TSHRMAPK1CYP3A4CASP1RECQL
SCHEMBL12238641 0.78 ACHE (0.42) MAPK1CYP3A4ALDH1A1CYP2D6
SCHEMBL14196690 0.78 TSHR (0.46) TSHRMAPK1CYP3A4CASP1RECQL
SCHEMBL12884227 0.74 CYP2D6 (0.47) MAPK1CYP3A4ALDH1A1CYP1A2CYP2D6
SCHEMBL111419 0.74 MAPK1 (0.60) TSHRMAPK1CYP3A4CASP1RECQL
SCHEMBL31476400 0.74 TSHR (0.60) TSHRMAPK1CYP3A4CASP1RECQL
SCHEMBL3959121 0.74 CYP2D6 (0.47) MAPK1CYP3A4ALDH1A1CYP1A2CYP2D6
SCHEMBL125232 0.74 TSHR (0.60) TSHRMAPK1CYP3A4CASP1RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250186433-A1 ACSS2 INHIBITORS AND METHODS OF USE THEREOF EPIVARIO, INC. 2025-06-12 US disclosed
US-12133852-B2 ACSS2 inhibitors and methods of use thereof EPIVARIO, INC. (US) 2024-11-05 US disclosed
US-20220305010-A1 ACSS2 INHIBITORS AND METHODS OF USE THEREOF METABOMED LTD. (IL) 2022-09-29 US disclosed
EP-3983386-A1 ACSS2 INHIBITORS AND METHODS OF USE THEREOF Metabomed Ltd (IL) 2022-04-20 EP disclosed
CN-114008025-A ACSS2 inhibitors and methods of use thereof 美特波米德有限公司 2022-02-01 CN disclosed
WO-2020230136-A1 ACSS2 INHIBITORS AND METHODS OF USE THEREOF METABOMED LTD (IL) 2020-11-19 WO disclosed
WO-2020230136-A1 ACSS2 INHIBITORS AND METHODS OF USE THEREOF METABOMED LTD (IL) 2020-11-19 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 (3 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-20250186433-A1 ACSS2 INHIBITORS AND METHODS OF USE THEREOF ACSS2, GLS2, ADSS2 TSHR 3842/4885MAPK1 1469/4885CYP3A4 3671/4885
US-20220305010-A1 ACSS2 INHIBITORS AND METHODS OF USE THEREOF ACSS2, GLS2, ADSS2 TSHR 3842/4885MAPK1 1469/4885CYP3A4 3671/4885
US-12133852-B2 ACSS2 inhibitors and methods of use thereof ACSS2, GLS2, ADSS2 TSHR 3842/4885MAPK1 1469/4885CYP3A4 3671/4885

“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.