Sugi Predict

Sugi Predict / Compounds / SCHEMBL29996901

SCHEMBL29996901

SCHEMBL29996901

CC(C)(C)c1cc2ccccc2c(S(=O)(=O)O)c1C(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 1/20 0.47
▸ MPL P40238 8/20 0.40
▸ CTRC Q99895 2/20 0.40
▸ NR1I2 O75469 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.37
▸ HPGD P15428 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ ATIC P31939 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ HIF1A Q16665 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ RCE1 Q9Y256 1/20 0.36
▸ HDAC1 Q13547 2/20 0.36
▸ HDAC3 O15379 1/20 0.35
▸ HDAC4 P56524 1/20 0.35
▸ HDAC7 Q8WUI4 1/20 0.35
▸ HDAC2 Q92769 1/20 0.35
▸ HDAC10 Q969S8 1/20 0.35

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
SCHEMBL4000559 1.00 CYP2D6 (0.47) CYP2D6MPLCTRCNR1I2ALDH1A1
SCHEMBL5552151 0.98 CYP2D6 (0.46) CYP2D6MPLCTRCNR1I2ALDH1A1
SCHEMBL12482334 0.88 CYP2D6 (0.43) CYP2D6MPLCTRCNR1I2ALDH1A1
SCHEMBL7786038 0.87 CYP2D6 (0.49) CYP2D6MPLCTRCNR1I2ALDH1A1
SCHEMBL16633017 0.86 CYP2D6 (0.48) CYP2D6MPLCTRCNR1I2ALDH1A1
SCHEMBL4594432 0.83 NR1I2 (0.54) CYP2D6MPLCTRCNR1I2ALDH1A1
SCHEMBL2842392 0.80 NR1I2 (0.35) CYP2D6NR1I2ALDH1A1HPGD
SCHEMBL3495406 0.79 NR1I2 (0.44) CYP2D6MPLCTRCNR1I2ALDH1A1
SCHEMBL11418053 0.78 NR1I2 (0.43) CYP2D6MPLCTRCNR1I2ALDH1A1
SCHEMBL6281667 0.76 CYP2D6 (0.40) CYP2D6MPLCTRCALDH1A1HPGD

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-20250313564-A1 ACIDIC SALT OR CRYSTAL FORM OF NITROGEN-CONTAINING FUSED RING DERIVATIVE INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF SHANGHAI HANSOH BIOMEDICAL CO., LTD. (CN) 2025-10-09 — — US disclosed
EP-4471032-A1 ACIDIC SALT OR CRYSTAL FORM OF NITROGEN-CONTAINING FUSED RING DERIVATIVE INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF Shanghai Hansoh Biomedical Co., Ltd. (CN) 2024-12-04 — — EP disclosed
CN-118715224-A Acid salt or crystal form of nitrogen-containing fused ring derivative inhibitor, and preparation method and application thereof 上海翰森生物医药科技有限公司 2024-09-27 — — CN disclosed
EP-4288062-A1 FOSPROPOFOL METHODS AND COMPOSITIONS Epalex Corporation (US) 2023-12-13 — — EP disclosed
WO-2022169520-A1 FOSPROPOFOL METHODS AND COMPOSITIONS EPALEX CORPORATION (US) 2022-08-11 — — 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 (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-20250313564-A1 ACIDIC SALT OR CRYSTAL FORM OF NITROGEN-CONTAINING FUSED RING DERIVATIVE INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF NR5A1, HSD17B11, CYP17A1 CYP2D6 3240/4885MPL 4159/4885CTRC 3090/4885

“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.