SCHEMBL9190642

SCHEMBL9190642

CCCC(=O)C(=O)OC(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 7/20 0.50
CES1 P23141 7/20 0.50
HDAC3 O15379 4/20 0.40
HDAC1 Q13547 4/20 0.40
HDAC2 Q92769 4/20 0.40
HDAC8 Q9BY41 4/20 0.40
FFAR3 O14843 3/20 0.40
ALDH1A1 P00352 1/20 0.39
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA7 P43166 1/20 0.35
CA14 Q9ULX7 1/20 0.35
TSHR P16473 1/20 0.35
DGAT1 O75907 1/20 0.33
HDAC6 Q9UBN7 1/20 0.32
PRSS1 P07477 1/20 0.32
CTSG P08311 1/20 0.32
CTRB1 P17538 1/20 0.32
CMA1 P23946 1/20 0.32
FAAH O00519 1/20 0.32

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
SCHEMBL16044031 0.87 DGAT1 (0.37) CES2CES1HDAC3HDAC1HDAC2
SCHEMBL28915628 0.86 CES2 (0.46) CES2CES1HDAC3HDAC1HDAC2
SCHEMBL1088812 0.86 CES1 (0.54) CES2CES1ALDH1A1CA1FAAH
SCHEMBL9431005 0.85 CES2 (0.56) CES2CES1ALDH1A1TSHRFAAH
SCHEMBL28694822 0.83 HDAC6 (0.36) CES2CES1HDAC1HDAC2CA1
SCHEMBL1088865 0.83 CES2 (0.58) CES2CES1ALDH1A1TSHRFAAH
SCHEMBL28241366 0.83 CES2 (0.58) CES2CES1ALDH1A1TSHRFAAH
SCHEMBL28191479 0.83 CES2 (0.58) CES2CES1ALDH1A1TSHRFAAH
SCHEMBL12216208 0.81 TDP1 (0.38) HDAC1HDAC2DGAT1HDAC6
SCHEMBL1088039 0.80 CA1 (0.37) FFAR3ALDH1A1CA12CA1CA7

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117396477-A Pyridyl-substituted oxoisoindoline compounds for the treatment of cancer 百时美施贵宝公司 2024-01-12 CN disclosed
CN-116583509-A Compounds and methods for treating cancer 上海睿跃生物科技有限公司 2023-08-11 CN disclosed
CN-112601751-A Fused thiophene compounds 拜欧斯瑞克斯公司 2021-04-02 CN disclosed
US-9266853-B2 Orally available viridiofungin derivative possessing anti-HCV activity CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2016-02-23 US disclosed
US-9266853-B2 Orally available viridiofungin derivative possessing anti-HCV activity CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2016-02-23 US disclosed
US-9266853-B2 Orally available viridiofungin derivative possessing anti-HCV activity CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2016-02-23 US disclosed
US-20150210666-A1 ORALLY AVAILABLE VIRIDIOFUNGIN DERIVATIVE POSSESSING ANTI-HCV ACTIVITY CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2015-07-30 US disclosed
US-20150210666-A1 ORALLY AVAILABLE VIRIDIOFUNGIN DERIVATIVE POSSESSING ANTI-HCV ACTIVITY CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2015-07-30 US disclosed
US-20150210666-A1 ORALLY AVAILABLE VIRIDIOFUNGIN DERIVATIVE POSSESSING ANTI-HCV ACTIVITY CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2015-07-30 US disclosed
EP-2886530-A1 ORALLY ADMINISTRABLE VIRIDIOFUNGIN DERIVATIVE HAVING ANTI-HCV ACTIVITY Chugai Seiyaku Kabushiki Kaisha (JP) 2015-06-24 EP disclosed
EP-2886530-A1 ORALLY ADMINISTRABLE VIRIDIOFUNGIN DERIVATIVE HAVING ANTI-HCV ACTIVITY Chugai Seiyaku Kabushiki Kaisha (JP) 2015-06-24 EP disclosed
WO-2014027696-A1 ORALLY ADMINISTRABLE VIRIDIOFUNGIN DERIVATIVE HAVING ANTI-HCV ACTIVITY 中外製薬株式会社 (JP) 2014-02-20 WO disclosed
CN-1159289-C C-terminal modified oxamyl dipeptides as inhibitors of the ICE/ced-3 family of cystenine proteases ������˹ҩƷ��˾ 2004-07-28 CN disclosed
EP-0544819-B1 INDOLE DERIVATIVES WHICH INHIBIT LEUKOTRIENE BIOSYNTHESIS ABBOTT LAB (US) 1995-12-06 EP disclosed
US-5459150-A Treatment of allergies and inflammatory diseases ABBOTT LABORATORIES (US) 1995-10-17 US disclosed
EP-0544819-A4 INDOLE DERIVATIVES WHICH INHIBIT LEUKOTRIENE BIOSYNTHESIS 1993-10-20 EP disclosed
EP-0544819-A1 INDOLE DERIVATIVES WHICH INHIBIT LEUKOTRIENE BIOSYNTHESIS. ABBOTT LAB (US) 1993-06-09 EP disclosed
US-5095031-A Enzyme inhibitors, antiallergens, antiinflammatory ABBOTT LABORATORIES (US) 1992-03-10 US disclosed
WO-1992003132-A1 INDOLE DERIVATIVES WHICH INHIBIT LEUKOTRIENE BIOSYNTHESIS ABBOTT LABORATORIES (US) 1992-03-05 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-20150210666-A1 ORALLY AVAILABLE VIRIDIOFUNGIN DERIVATIVE POSSESSING ANTI-HCV ACTIVITY ZC3HAV1, SLC10A1, CYP51A1 CES2 614/4885CES1 44/4885HDAC3 1628/4885

“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.