Sugi Predict

Sugi Predict / Compounds / SCHEMBL8079706

SCHEMBL8079706

SCHEMBL8079706

CC(C)(C)OC(=O)n1cccc1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 1/20 0.45
▸ HSP90AB1 P08238 1/20 0.45
▸ BCHE P06276 1/20 0.44
▸ BUB1 O43683 1/20 0.40
▸ GPR119 Q8TDV5 1/20 0.38
▸ PIK3R1 P27986 1/20 0.38
▸ PIK3CA P42336 1/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ TNK2 Q07912 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ APEX1 P27695 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ ABCB1 P08183 1/20 0.36
▸ MAPK1 P28482 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ NR1H2 P55055 1/20 0.34
▸ RORC P51449 1/20 0.34
▸ ACLY P53396 1/20 0.34
▸ ATR Q13535 1/20 0.34

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
SCHEMBL28219105 0.86 HSP90AA1 (0.45) HSP90AA1HSP90AB1BCHEBUB1GPR119
SCHEMBL3227430 0.86 HSP90AA1 (0.45) HSP90AA1HSP90AB1BCHEBUB1GPR119
SCHEMBL14164203 0.83 NR1H2 (0.47) HSP90AA1HSP90AB1BCHEBUB1PIK3R1
SCHEMBL9432566 0.83 HSP90AA1 (0.41) HSP90AA1HSP90AB1BCHEBUB1GPR119
SCHEMBL28534955 0.83 HSP90AA1 (0.33) HSP90AA1HSP90AB1BCHEL3MBTL1POLB
SCHEMBL9432561 0.83 HSP90AA1 (0.41) HSP90AA1HSP90AB1BCHEBUB1GPR119
SCHEMBL6941445 0.81 HSP90AA1 (0.41) HSP90AA1HSP90AB1BCHEBUB1GPR119
SCHEMBL28288962 0.80 L3MBTL1 (0.50) HSP90AA1HSP90AB1BCHEBUB1PIK3R1
SCHEMBL29010222 0.79 BUB1 (0.44) HSP90AA1HSP90AB1BCHEBUB1GPR119
SCHEMBL163016 0.79 HSP90AA1 (0.47) HSP90AA1HSP90AB1BCHEBUB1GPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115160205-B Method for preparing (S) -1- (tert-butoxycarbonyl) -2, 5-dihydro-1H-pyrrole-2-carboxylic acid and salt thereof 上海皓鸿生物医药科技有限公司 2024-06-07 — — CN claimed
CN-115160205-A Method for preparing (S) -1- (tert-butyloxycarbonyl) -2, 5-dihydro-1H-pyrrole-2-carboxylic acid and salt thereof 上海皓鸿生物医药科技有限公司 2022-10-11 — — CN claimed
CN-115160205-B Method for preparing (S) -1- (tert-butoxycarbonyl) -2, 5-dihydro-1H-pyrrole-2-carboxylic acid and salt thereof 上海皓鸿生物医药科技有限公司 2024-06-07 — — CN disclosed
CN-115160205-B Method for preparing (S) -1- (tert-butoxycarbonyl) -2, 5-dihydro-1H-pyrrole-2-carboxylic acid and salt thereof 上海皓鸿生物医药科技有限公司 2024-06-07 — — CN disclosed
CN-115160205-A Method for preparing (S) -1- (tert-butyloxycarbonyl) -2, 5-dihydro-1H-pyrrole-2-carboxylic acid and salt thereof 上海皓鸿生物医药科技有限公司 2022-10-11 — — CN disclosed
CN-115160205-A Method for preparing (S) -1- (tert-butyloxycarbonyl) -2, 5-dihydro-1H-pyrrole-2-carboxylic acid and salt thereof 上海皓鸿生物医药科技有限公司 2022-10-11 — — CN disclosed
EP-3517536-B1 AMINOTRIAZINE DERIVATIVES USEFUL AS TANK-BINDING KINASE INHIBITOR COMPOUNDS GILEAD SCIENCES INC (US) 2021-05-05 — — EP disclosed
EP-3517536-A1 AMINOTRIAZINE DERIVATIVES USEFUL AS TANK-BINDING KINASE INHIBITOR COMPOUNDS Gilead Sciences, Inc. (US) 2019-07-31 — — EP disclosed
US-10253019-B2 Tank-binding kinase inhibitor compounds GILEAD SCIENCES, INC. (US) 2019-04-09 — — US disclosed
CN-104744444-B The fluoro- 9,10 dihydro phenanthrene class hepatitis C virus inhibitors of 9,9,10,10- tetra- and its application 南京圣和药业股份有限公司 2019-02-26 — — CN disclosed
CN-104725365-B Hepatitis C virus inhibitors and its application 南京圣和药业股份有限公司 2019-02-26 — — CN disclosed
CN-100396680-C Vla-4 inhibitors DAICHI PHARMACEUTICAL CO LTD (JP) 2008-06-25 — — CN disclosed
CN-1699363-A Vla-4 inhibitors DAICHI PHARMACEUTICAL CO LTD (JP) 2005-11-23 — — CN disclosed
CN-1483024-A Vla-4 inhibitors ��һ��������ҩ��ʽ���� 2004-03-17 — — CN disclosed
US-6166222-A Method for producing chiral 3,4-dehydroprolines BASF AKTIENGESELLSCHAFT (DE) 2000-12-26 — — US disclosed
CN-1259122-A Method for producing chiral 3,4-dehydroprolines BASF AG (DE) 2000-07-05 — — CN disclosed
US-5883102-A Pharmaceutically active compounds ASTRA PHARMACEUTICALS LIMITED (GB) 1999-03-16 — — US disclosed
CN-1204327-A Pharmaceutically active quinazoline compounds ASTRA PHARMA PROD (GB) 1999-01-06 — — CN disclosed
EP-0858451-A1 PHARMACEUTICALLY ACTIVE QUINAZOLINE COMPOUNDS Astra Pharmaceuticals Limited (GB) 1998-08-19 — — EP disclosed
WO-1997014686-A1 PHARMACEUTICALLY ACTIVE QUINAZOLINE COMPOUNDS ASTRA PHARMACEUTICALS LIMITED (GB) 1997-04-24 — — 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-10253019-B2 Tank-binding kinase inhibitor compounds TBKBP1, TNKS1BP1, TNKS HSP90AA1 1757/4885HSP90AB1 1142/4885BCHE 4234/4885

“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.