Sugi Predict

Sugi Predict / Compounds / SCHEMBL879221

SCHEMBL879221

SCHEMBL879221

Cc1cccc(-c2ccsc2)c1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYP2A6 P11509 5/20 0.56
▸ CYP2B6 P20813 2/20 0.56
▸ CYP2E1 P05181 1/20 0.56
▸ PRMT6 Q96LA8 1/20 0.54
▸ KCNH2 Q12809 1/20 0.47
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ ACHE P22303 1/20 0.44
▸ PTPRC P08575 1/20 0.43
▸ PDGFRB P09619 1/20 0.42
▸ PDGFRA P16234 1/20 0.42
▸ CNR1 P21554 1/20 0.42
▸ GAA P10253 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ ALOX5 P09917 1/20 0.40
▸ RAB9A P51151 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
SCHEMBL4350314 0.84 CYP2A6 (0.68) CYP2A6CYP2B6CYP2E1PRMT6KCNH2
SCHEMBL3997707 0.79 — —
SCHEMBL31471473 0.79 ACHE (0.69) ACHEMEN1ALDH1A1KMT2ARAB9A
SCHEMBL301247 0.79 ACHE (0.69) ACHEMEN1ALDH1A1KMT2ARAB9A
SCHEMBL29373699 0.79 ACHE (0.69) ACHEMEN1ALDH1A1KMT2ARAB9A
SCHEMBL28164029 0.78 CYP2A6 (0.82) CYP2A6CYP2B6CYP2E1PRMT6KCNH2
SCHEMBL28459904 0.78 RAB9A (0.45) CYP2A6CYP2B6CYP2E1PDGFRBPDGFRA
SCHEMBL19577801 0.77 ACHE (0.65) ACHEMEN1ALDH1A1KMT2ARAB9A
SCHEMBL18797759 0.77 ACHE (0.65) ACHEMEN1ALDH1A1KMT2ARAB9A
SCHEMBL4442916 0.75 HSD17B1 (0.58) CYP2A6CYP2B6CYP2E1PRMT6KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111646964-B Novel method for synthesizing 2H-pyran-2-one derivative by base catalysis 四川大学 2023-03-31 — — CN disclosed
CN-113264816-B Spiro [ cyclopropane-1, 2' -indene ] -1',3' -diketone derivative and synthetic method thereof 湖北科技学院 2023-03-24 — — CN disclosed
WO-2023022497-A1 SOS1 INHIBITOR AND USE THEREOF 주식회사 카나프테라퓨틱스 2023-02-23 — — WO disclosed
CN-114249689-A Synthetic method of benzoyl quinoline compound 温州大学 2022-03-29 — — CN disclosed
EP-2483263-B1 HETEROCYCLIC COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME (US) 2018-07-18 — — EP disclosed
EP-2871199-B1 METHOD FOR PRODUCING AROMATIC COMPOUND SUMITOMO CHEMICAL CO (JP) 2018-02-21 — — EP disclosed
US-9238665-B2 Method for producing aromatic compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-01-19 — — US disclosed
US-9238665-B2 Method for producing aromatic compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-01-19 — — US disclosed
US-20150322101-A1 METHOD FOR PRODUCING AROMATIC COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-11-12 — — US disclosed
US-20150322101-A1 METHOD FOR PRODUCING AROMATIC COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-11-12 — — US disclosed
US-20070232610-A1 Novel compounds that are ERK inhibitors SCHERING CORPORATION 2007-10-04 — — US disclosed
US-20070191604-A1 Novel compounds that are ERK inhibitors SCHERING CORPORATION 2007-08-16 — — US disclosed
US-20070135631-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-14 — — US disclosed
WO-2007067537-A1 PYRROLOPYRIDINE KINASE INHIBITING COMPOUNDS OSI PHARMACEUTICALS, INC. (US) 2007-06-14 — — WO disclosed
US-20070135467-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-14 — — US disclosed
US-20070129364-A1 Pyrrolopyridine kinase inhibiting compounds OSI PHARMACEUTICALS, INC. 2007-06-07 — — US disclosed
US-20070129364-A1 Pyrrolopyridine kinase inhibiting compounds OSI PHARMACEUTICALS, INC. 2007-06-07 — — US disclosed
EP-1406897-B1 COMPOUNDS SMITHKLINE BEECHAM PLC (GB) 2007-03-14 — — EP disclosed
US-7176224-B2 Oxazolyl-aryloxyacetic acid derivatives and their use as PPAR agonists ELI LILLY AND COMPANY (US) 2007-02-13 — — US disclosed
US-4426524-A Heterocyclic substituted benzyl alcohol, insecticidal ester derivatives, and intermediates FMC CORPORATION (US) 1984-01-17 — — 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 (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-20070135631-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 CYP2A6 867/4885CYP2B6 509/4885CYP2E1 300/4885
US-20070135467-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 CYP2A6 867/4885CYP2B6 509/4885CYP2E1 300/4885
US-20070191604-A1 Novel compounds that are ERK inhibitors MAPK1, MAPK4, MAPKAPK2 CYP2A6 2394/4885CYP2B6 1604/4885CYP2E1 502/4885
US-20150322101-A1 METHOD FOR PRODUCING AROMATIC COMPOUND PAH, DDC, PHOSPHO1 CYP2A6 2057/4885CYP2B6 980/4885CYP2E1 2150/4885
US-20070232610-A1 Novel compounds that are ERK inhibitors MAPK1, MAPK4, MAPKAPK2 CYP2A6 2394/4885CYP2B6 1604/4885CYP2E1 502/4885
US-20070129364-A1 Pyrrolopyridine kinase inhibiting compounds BMX, ERBB2, FRK CYP2A6 4636/4885CYP2B6 4504/4885CYP2E1 4054/4885

“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.