SCHEMBL22658171

SCHEMBL22658171

CC(C)C(F)(F)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.52
LMNA P02545 1/20 0.52
PTPRC P08575 1/20 0.51
ACHE P22303 1/20 0.49
ALDH1A1 P00352 4/20 0.44
TDP1 Q9NUW8 1/20 0.44
ALOX15 P16050 1/20 0.44
HSP90AA1 P07900 1/20 0.43
KIF11 P52732 1/20 0.43
KMT2A Q03164 3/20 0.42
HTT P42858 2/20 0.42
GAA P10253 1/20 0.42
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
MEN1 O00255 2/20 0.42
TP53 P04637 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HPGD P15428 1/20 0.40
L3MBTL1 Q9Y468 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
SCHEMBL29408258 1.00 TSHR (0.52) TSHRLMNAPTPRCACHEALDH1A1
SCHEMBL545892 0.81 PTPRC (0.59) TSHRLMNAPTPRCACHEALDH1A1
SCHEMBL31426103 0.81 PTPRC (0.59) TSHRLMNAPTPRCACHEALDH1A1
SCHEMBL29703748 0.80 TSHR (0.61) TSHRLMNAPTPRCACHEALDH1A1
SCHEMBL439710 0.80 TSHR (0.61) TSHRLMNAPTPRCACHEALDH1A1
Methyl Alcohol SCHEMBL7379508 0.79 PTPRC (0.58) TSHRLMNAPTPRCACHEALDH1A1
Bromomethane SCHEMBL28113531 0.79 KIF11 (0.56) TSHRLMNAPTPRCACHEALDH1A1
SCHEMBL30865102 0.79 KIF11 (0.59) TSHRLMNAPTPRCACHEALDH1A1
Hydrochloric Acid SCHEMBL155429 0.79 KIF11 (0.59) TSHRLMNAPTPRCACHEALDH1A1
SCHEMBL29203888 0.79 KIF11 (0.59) TSHRLMNAPTPRCACHEALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260085048-A1 ACSS2 INHIBITORS AND METHODS OF USE THEREOF EPIVARIO INC (US) 2026-03-26 US disclosed
US-12441689-B2 ACSS2 inhibitors and methods of use thereof EPIVARIO, INC. (US) 2025-10-14 US disclosed
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-20230084752-A1 ACSS2 INHIBITORS AND METHODS OF USE THEREOF METABOMED LTD. (IL) 2023-03-16 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
EP-3969439-A1 ACSS2 INHIBITORS AND METHODS OF USE THEREOF Metabomed Ltd (IL) 2022-03-23 EP disclosed
CN-114127049-A ACSS2 inhibitors and methods of use thereof 美特波米德有限公司 2022-03-01 CN 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
WO-2020230134-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 (6 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 3842/4885LMNA 3876/4885PTPRC 3563/4885
US-20230084752-A1 ACSS2 INHIBITORS AND METHODS OF USE THEREOF ACSS2, ADSS2, GLS2 TSHR 3555/4885LMNA 3750/4885PTPRC 3579/4885
US-20220305010-A1 ACSS2 INHIBITORS AND METHODS OF USE THEREOF ACSS2, GLS2, ADSS2 TSHR 3842/4885LMNA 3876/4885PTPRC 3563/4885
US-20260085048-A1 ACSS2 INHIBITORS AND METHODS OF USE THEREOF ACSS2, GLS2, ACSL3 TSHR 1970/4885LMNA 2111/4885PTPRC 3161/4885
US-12133852-B2 ACSS2 inhibitors and methods of use thereof ACSS2, GLS2, ADSS2 TSHR 3842/4885LMNA 3876/4885PTPRC 3563/4885
US-12441689-B2 ACSS2 inhibitors and methods of use thereof ACSS2, ADSS2, GLS2 TSHR 3555/4885LMNA 3750/4885PTPRC 3579/4885

“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.