SCHEMBL301133

SCHEMBL301133

O=C(O)C1(c2ccccc2F)CC1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 4/20 0.59
AKR1C1 Q04828 2/20 0.52
ELOVL1 Q9BW60 3/20 0.49
OPRL1 P41146 3/20 0.41
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41
OPRK1 P41145 1/20 0.41
AKR1B10 O60218 1/20 0.41
AKR1C4 P17516 1/20 0.41
AKR1C3 P42330 1/20 0.41
AKR1C2 P52895 1/20 0.41
HCAR2 Q8TDS4 1/20 0.41
APP P05067 1/20 0.40
CYP2C9 P11712 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
SCHEMBL31125559 1.00 HDAC4 (0.59) HDAC4AKR1C1ELOVL1OPRL1OPRM1
SCHEMBL30501854 0.94 HDAC4 (0.62) HDAC4AKR1C1ELOVL1OPRL1OPRM1
SCHEMBL5637311 0.94 HDAC4 (0.62) HDAC4AKR1C1ELOVL1OPRL1OPRM1
SCHEMBL31580968 0.94 HDAC4 (0.67) HDAC4AKR1C1ELOVL1
SCHEMBL3184587 0.94 HDAC4 (0.67) HDAC4AKR1C1ELOVL1
SCHEMBL2867660 0.92 HDAC4 (0.65) HDAC4AKR1C1ELOVL1
SCHEMBL29567033 0.92 HDAC4 (0.65) HDAC4AKR1C1ELOVL1
SCHEMBL5766858 0.88 HDAC4 (0.51) HDAC4AKR1C1ELOVL1OPRL1OPRM1
SCHEMBL6506130 0.88 HDAC4 (0.51) HDAC4AKR1C1ELOVL1OPRL1OPRM1
SCHEMBL1627778 0.88 HDAC4 (0.51) HDAC4AKR1C1ELOVL1HCAR2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080039482-A1 SULFONAMIDO-MACROCYCLES AS TIE2 INHIBITORS AND SALTS THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, METHODS OF PREPARING SAME AND USES OF SAME BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-02-14 US claimed
WO-2007147574-A1 SULFONAMIDO-MACROCYCLES AS TIE2 INHIBITORS AND SALTS THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, METHODS OF PREPARING SAME AND USES OF SAME BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-12-27 WO claimed
EP-1870416-A1 Sulphonamido-macrocycles as tie2 inhibitors Bayer Schering Pharma Aktiengesellschaft (DE) 2007-12-26 EP claimed
US-7063856-B2 Pharmaceutical composition containing aminocetonitrile compounds and the use thereof for the preparation of a pharmaceutical composition for the treatment of endoparasitic pests in animals NOVARTIS ANIMAL HEALTH US, INC. (US) 2006-06-20 US claimed
EP-4642782-A2 ALPHA-V-BETA-8 INTEGRIN INHIBITORS AND USES THEREOF Pliant Therapeutics, Inc. (US) 2025-11-05 EP disclosed
US-20240270742-A1 SUBSTITUTED AMINO ACIDS AS INTEGRIN INHIBITORS PLIANT THERAPEUTICS INC (US) 2024-08-15 US disclosed
US-20240245682-A1 ALPHA-V-BETA-8 INTEGRIN INHIBITORS AND USES THEREOF PLIANT THERAPEUTICS, INC. 2024-07-25 US disclosed
WO-2024145245-A2 ALPHA-V-BETA-8 INTEGRIN INHIBITORS AND USES THEREOF PLIANT THERAPEUTICS, INC. (US) 2024-07-04 WO disclosed
US-11952376-B2 Substituted amino acids as integrin inhibitors PLIANT THERAPEUTICS, INC. (US) 2024-04-09 US disclosed
US-20220144829-A1 AMINO ACID COMPOUNDS AND METHODS OF USE PLIANT THERAPEUTICS, INC. 2022-05-12 US disclosed
CN-113861072-A Preparation method of aryl cyclopropane compound 上海麦克林生化科技有限公司 2021-12-31 CN disclosed
US-11180494-B2 Substituted amino acids as integrin inhibitors PLIANT THERAPEUTICS, INC. (US) 2021-11-23 US disclosed
US-7825121-B2 Piperazine derivatives useful as CCR5 antagonists SCHERING CORPORATION (US) 2010-11-02 US disclosed
US-20080188485-A1 PIPERIDINE DERIVATIVES USEFUL AS CCR5 ANTAGONISTS SCHERING CORPORATION 2008-08-07 US disclosed
US-20080188485-A1 PIPERIDINE DERIVATIVES USEFUL AS CCR5 ANTAGONISTS SCHERING CORPORATION 2008-08-07 US disclosed
US-7384944-B2 Piperazine derivatives useful as CCR5 antagonists SCHERING CORPORATION (US) 2008-06-10 US disclosed
US-7384944-B2 Piperazine derivatives useful as CCR5 antagonists SCHERING CORPORATION (US) 2008-06-10 US disclosed
US-20080039482-A1 SULFONAMIDO-MACROCYCLES AS TIE2 INHIBITORS AND SALTS THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, METHODS OF PREPARING SAME AND USES OF SAME BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-02-14 US disclosed
EP-1870416-A1 Sulphonamido-macrocycles as tie2 inhibitors Bayer Schering Pharma Aktiengesellschaft (DE) 2007-12-26 EP disclosed
WO-2007050375-A2 PIPERAZINE DERIVATIVES USEFUL AS CCR5 ANTAGONISTS SCHERING CORPORATION (US) 2007-05-03 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 (7 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-20220144829-A1 AMINO ACID COMPOUNDS AND METHODS OF USE ITGB6, ITGA1, ITGAL HDAC4 2407/4885AKR1C1 3909/4885ELOVL1 468/4885
US-20080188485-A1 PIPERIDINE DERIVATIVES USEFUL AS CCR5 ANTAGONISTS CCR5, CXCR3, CCR2 HDAC4 2170/4885AKR1C1 776/4885ELOVL1 3411/4885
US-20080039482-A1 SULFONAMIDO-MACROCYCLES AS TIE2 INHIBITORS AND SALTS THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, METHODS OF PREPARING SAME AND USES OF SAME TIE1, KDR, TEK HDAC4 4543/4885AKR1C1 962/4885ELOVL1 3995/4885
US-20240245682-A1 ALPHA-V-BETA-8 INTEGRIN INHIBITORS AND USES THEREOF ITGB8, ITGAV, ITGA8 HDAC4 1211/4885AKR1C1 3697/4885ELOVL1 1179/4885
US-11952376-B2 Substituted amino acids as integrin inhibitors ITGB6, ITGA1, ITGB1 HDAC4 2411/4885AKR1C1 4246/4885ELOVL1 622/4885
US-11180494-B2 Substituted amino acids as integrin inhibitors ITGB6, ITGA1, ITGB1 HDAC4 2411/4885AKR1C1 4246/4885ELOVL1 622/4885
US-20240270742-A1 SUBSTITUTED AMINO ACIDS AS INTEGRIN INHIBITORS ITGB6, ITGA1, ITGB1 HDAC4 2411/4885AKR1C1 4246/4885ELOVL1 622/4885

“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.