Sugi Predict

Sugi Predict / Compounds / SCHEMBL688159

SCHEMBL688159

SCHEMBL688159

COc1c[c]cc2c1OCO2

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 3/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ LMNA P02545 2/20 0.43
▸ HPGD P15428 1/20 0.43
▸ POLB P06746 2/20 0.40
▸ GSK3B P49841 2/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ ACHE P22303 1/20 0.39
▸ ATR Q13535 1/20 0.39
▸ CYP19A1 P11511 1/20 0.38
▸ NQO2 P16083 1/20 0.38
▸ HTR7 P34969 1/20 0.38
▸ MITF O75030 1/20 0.36
▸ HSP90AA1 P07900 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ HTT P42858 1/20 0.36

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
SCHEMBL6358713 0.85 PLK1 (0.43) CYP3A4ALDH1A1SMN1; SMN2LMNAHPGD
SCHEMBL8084872 0.79 NQO1 (0.40) CYP3A4ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL7771817 0.74 ALDH1A1 (0.35) CYP3A4ALDH1A1SMN1; SMN2
SCHEMBL6349570 0.74 NQO2 (0.34) CYP19A1NQO2
SCHEMBL7709723 0.73 POLB (0.33) CYP3A4ALDH1A1LMNAHPGDPOLB
SCHEMBL7771818 0.73 ALDH1A1 (0.31) CYP3A4ALDH1A1SMN1; SMN2POLBMAPT
SCHEMBL7385588 0.72 PTGDR2 (0.40) ALDH1A1SMN1; SMN2LMNAHPGDPOLB
SCHEMBL943239 0.71 ABCG2 (0.33) —
SCHEMBL27359305 0.71 MAOB (0.49) ALDH1A1SMN1; SMN2KMT2AMAPTMAPK1
SCHEMBL1145699 0.71 ALDH1A1 (0.47) CYP3A4ALDH1A1SMN1; SMN2LMNAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4761683-B2 — — 2011-08-31 — — JP claimed
US-20040147584-A2 1,3-DIARYLPROP-2-EN-1-ONES, COMPOSITIONS CONTAINING THEM AND USE THEREOF AVENTIS PHARMA S.A. (FR) 2004-07-29 — — US claimed
US-20040097581-A1 SUBSTITUTED 5-OXO-5, 6, 7, 8-TETRAHYDRO-4H-1-BENZOPYRANS KONKOY CHRISTOPHER S (US) 2004-05-20 — — US claimed
US-6680332-B1 NEURODEGENERATIVE, ALZHEIMER*S, PARKINSON*S, AND HUNTINGTON*S DISEASE; AMYOTROPHIC LATERAL SCLEROSIS, AIDS-ASSOCIATED DEMENTIA, DOWN SYNDROME AND SCHIZOPHRENIA EURO-CELTIQUE S.A. (LU) 2004-01-20 — — US claimed
EP-1379238-A1 FAVORABLE MODULATION OF HEALTH-RELATED QUALITY OF LIFE AND HEALTH-RELATED QUALITY-ADJUSTED TIME-TO-PROGRESSION OF DISEASE IN PATIENTS WITH PROSTATE CANCER Abbott Laboratories (US) 2004-01-14 — — EP claimed
US-20030207864-A1 Arylsulfonanilide ureas TULARK INC. 2003-11-06 — — US claimed
EP-1090014-B1 ARYLSULFONANILIDE PHOSPHATES TULARIK INC (US) 2003-09-03 — — EP claimed
US-6583165-B2 Anticarcinogenic, -inflammatory and -proliferative agents; viricides; bactericides; vascular restenosis, autoimmune diseases; psoriasis; anticolesterol and -lipemic agents TULARIK INC. 2003-06-24 — — US claimed
EP-1115701-B1 ARYLSULFONANILIDE UREAS TULARIK INC (US) 2003-05-21 — — EP claimed
US-20030092757-A1 Favorable modulation of health-related quality of life and health-related quality-adjusted time-to-progression of disease in patients with prostate cancer ABBOTT LABORATORIES 2003-05-15 — — US claimed
WO-2000017159-A1 ARYLSULFONANILIDE UREAS TULARIK INC. (US) 2000-03-30 — — WO claimed
WO-1999067258-A1 ARYLSULFONANILIDE PHOSPHATES TULARIK INC. (US) 1999-12-29 — — WO claimed
US-5998468-A CARDIOVASCULAR DISORDERS; RESPIRATORY SYSTEM DISORDERS; ANTICANCER AGENTS WARNER-LAMBERT COMPANY (US) 1999-12-07 — — US claimed
US-5922759-A Butenolide endothelin antagonists WARNER-LAMBERT COMPANY (US) 1999-07-13 — — US claimed
US-5691373-A TREATING SUBARACHNOID HEMORRHAGE WARNER-LAMBERT COMPANY (US) 1997-11-25 — — US claimed
WO-1997008169-A1 FURANONE ENDOTHELIN ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1997-03-06 — — WO claimed
WO-1997002265-A1 BUTENOLIDE ENDOTHELIN ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1997-01-23 — — WO claimed
EP-0714391-A1 SUBSTITUTED 2(5H)FURANONE, 2(5H)THIOPHENONE AND 2(5H)PYRROLONE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS ENDOTHELIN ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1996-06-05 — — EP claimed
WO-1995005376-A1 SUBSTITUTED 2(5H)FURANONE, 2(5H)THIOPHENONE AND 2(5H)PYRROLONE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS ENDOTHELIN ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1995-02-23 — — WO claimed
US-4619943-A NEUROLEPTIC AGENTS RAO KOPPAKA V 1986-10-28 — — US claimed

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-20040147584-A2 1,3-DIARYLPROP-2-EN-1-ONES, COMPOSITIONS CONTAINING THEM AND USE THEREOF MCL1, ENPP1, MYC CYP3A4 802/4885ALDH1A1 161/4885SMN1; SMN2 1350/4885
US-20030207864-A1 Arylsulfonanilide ureas UTS2R, UACA, UMPS CYP3A4 1298/4885ALDH1A1 4087/4885SMN1; SMN2 4664/4885
US-20030092757-A1 Favorable modulation of health-related quality of life and health-related quality-adjusted time-to-progression of disease in patients with prostate cancer KLK3, ACP3, BPHL CYP3A4 4369/4885ALDH1A1 1863/4885SMN1; SMN2 298/4885
US-20040097581-A1 SUBSTITUTED 5-OXO-5, 6, 7, 8-TETRAHYDRO-4H-1-BENZOPYRANS GRIN3A, GRIN1, CHRNA6 CYP3A4 2818/4885ALDH1A1 2597/4885SMN1; SMN2 116/4885

“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.