Sugi Predict

Sugi Predict / Compounds / SCHEMBL3559802

SCHEMBL3559802

SCHEMBL3559802

O=C(O)/C=C/c1ccc(CBr)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HCAR2 Q8TDS4 2/20 0.59
▸ CA12 O43570 2/20 0.59
▸ AKR1B10 O60218 2/20 0.59
▸ CA1 P00915 2/20 0.59
▸ CA2 P00918 2/20 0.59
▸ CA3 P07451 2/20 0.59
▸ AKR1B1 P15121 2/20 0.59
▸ CA4 P22748 2/20 0.59
▸ CA6 P23280 2/20 0.59
▸ DPP4 P27487 2/20 0.59
▸ CA5A P35218 2/20 0.59
▸ CA7 P43166 2/20 0.59
▸ CA9 Q16790 2/20 0.59
▸ CA14 Q9ULX7 2/20 0.59
▸ CA5B Q9Y2D0 2/20 0.59
▸ ESR1 P03372 2/20 0.59
▸ ESR2 Q92731 2/20 0.59
▸ PKM P14618 1/20 0.59
▸ TYR P14679 1/20 0.59
▸ HDAC3 O15379 2/20 0.57

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
SCHEMBL3559806 1.00 HCAR2 (0.59) HCAR2CA12AKR1B10CA1CA2
SCHEMBL14968964 0.85 CA12 (0.55) HCAR2CA12AKR1B10CA1CA2
SCHEMBL7140093 0.85 CA12 (0.55) HCAR2CA12AKR1B10CA1CA2
SCHEMBL8921111 0.83 TBXAS1 (0.68) HCAR2CA12AKR1B10CA1CA2
SCHEMBL14081549 0.82 HCAR2 (0.81) HCAR2CA12AKR1B10CA1CA2
SCHEMBL713717 0.82 HCAR2 (0.81) HCAR2CA12AKR1B10CA1CA2
SCHEMBL68395 0.82 HCAR2 (0.81) HCAR2CA12AKR1B10CA1CA2
SCHEMBL2300813 0.82 HCAR2 (0.61) HCAR2CA12AKR1B10CA1CA2
SCHEMBL27698116 0.82 HCAR2 (0.61) HCAR2CA12AKR1B10CA1CA2
SCHEMBL2300815 0.82 HCAR2 (0.61) HCAR2CA12AKR1B10CA1CA2

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 58 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118027033-A HDAC6 inhibitor, preparation method thereof and application thereof in anti-inflammatory and ulcerative colitis 四川大学 2024-05-14 — — CN claimed
CN-114075187-B Carbonyl pyrazole antitumor compound as well as preparation method and application thereof 山东大学 2023-05-12 — — CN claimed
CN-115141098-A Method for preparing ozagrel intermediate through microchannel reaction 赤峰经方医药技术开发有限责任公司 2022-10-04 — — CN claimed
CN-109796338-B Synthetic method of ozagrel intermediate p-bromomethyl cinnamate 深圳市第二人民医院 2022-05-06 — — CN claimed
CN-114436964-A Continuous preparation method of ozagrel 赤峰经方医药技术开发有限责任公司 2022-05-06 — — CN claimed
CN-113493416-A (E) Preparation method of (E) -4- (imidazolylmethyl) cinnamate 赤峰经方医药技术开发有限责任公司 2021-10-12 — — CN claimed
US-20240308989-A1 PYRAN DERIVATIVES AS CYP11A1 (CYTOCHROME P450 MONOOXYGENASE 11A1) INHIBITORS ORION CORP (FI) 2024-09-19 — — US disclosed
US-20240239775-A1 FXR REGULATOR, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF AND USE THEREOF BEIJING BEST PATHWAY MANAGEMENT CONSULTING CENTER (LIMITED PARTNERSHIP) (CN) 2024-07-18 — — US disclosed
US-12030871-B2 Pyran dervatives as CYP11A1 (cytochrome P450 monooxygenase 11A1) inhibitors ORION CORPORATION (FI) 2024-07-09 — — US disclosed
CN-118027033-A HDAC6 inhibitor, preparation method thereof and application thereof in anti-inflammatory and ulcerative colitis 四川大学 2024-05-14 — — CN disclosed
EP-4324825-A1 FXR REGULATOR, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF AND USE THEREOF Beijing Best Pathway Management Consulting Center (Limited Partnership) (CN) 2024-02-21 — — EP disclosed
CN-116903581-A SHP2/HDAC double-target inhibitor and preparation method and application thereof 山东大学 2023-10-20 — — CN disclosed
CN-116589464-A Pyrimidine ring compound, preparation method and application thereof 上海科技大学 2023-08-15 — — CN disclosed
WO-2008039087-A2 INDOLINE DERIVATIVES AND USES THEREOF AUCKLAND UNISERVICES LIMITED (NZ) 2008-04-03 — — WO disclosed
EP-1663936-B1 BIARYLOXYMETHYLARENE-CARBOXYLIC ACIDS HOFFMANN LA ROCHE (CH) 2008-01-09 — — EP disclosed
US-20050267093-A1 Amide compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-12-01 — — US disclosed
US-6310217-B1 ANTIINFLAMMATORY AND ANALGESIC AGENTS MERCKLE GMBH (DE) 2001-10-30 — — US disclosed
EP-0690847-A1 HETEROCYCLIC COMPOUNDS AS PLATELET AGGREGATION INHIBITORS ZENECA LIMITED (GB) 1996-01-10 — — EP disclosed
WO-1994022835-A2 HETEROCYCLIC COMPOUNDS AS PLATELET AGGREGATION INHIBITORS ZENECA LIMITED (GB) 1994-10-13 — — WO disclosed
US-4469865-A INHIBITORS OF THROMBOXANE SYNTHETASE KISSEI PHARMACEUTICAL CO., LTD. (JP) 1984-09-04 — — US 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 (4 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-20240239775-A1 FXR REGULATOR, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF AND USE THEREOF SLC10A1, NR1H4, FXR1 HCAR2 282/4885CA12 2676/4885AKR1B10 569/4885
US-12030871-B2 Pyran dervatives as CYP11A1 (cytochrome P450 monooxygenase 11A1) inhibitors CYP11B1, CYP11B2, CYP4A11 HCAR2 1209/4885CA12 2362/4885AKR1B10 66/4885
US-20240308989-A1 PYRAN DERIVATIVES AS CYP11A1 (CYTOCHROME P450 MONOOXYGENASE 11A1) INHIBITORS CYP11B1, CYP11B2, CYP4A11 HCAR2 1282/4885CA12 2833/4885AKR1B10 64/4885
US-20050267093-A1 Amide compounds with MCH antagonistic activity and medicaments comprising these compounds MCHR1, MC4R, MCHR2 HCAR2 139/4885CA12 2718/4885AKR1B10 1635/4885

“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.