SCHEMBL382252

SCHEMBL382252

[O]C(c1ccccc1)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACP3 P15309 3/20 0.42
SRC P12931 2/20 0.41
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
PTPN1 P18031 1/20 0.39
CYP2D6 P10635 1/20 0.39
DPP4 P27487 2/20 0.38
F2 P00734 1/20 0.38

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
SCHEMBL5848051 0.75 HDAC4 (0.46) CES2CES1
SCHEMBL7394160 0.74 CES2 (0.41) ACP3CES2CES1CYP2D6DPP4
SCHEMBL17956469 0.74 TSHR (0.43) SRCCES2CES1CYP2D6DPP4
SCHEMBL5042134 0.74 ATM (0.42) SRCCES2CES1CYP2D6DPP4
SCHEMBL773469 0.74 CES2 (0.41) ACP3CES2CES1CYP2D6DPP4
SCHEMBL4414048 0.73 ACP3 (0.40) ACP3SRCCES2CES1PTPN1
SCHEMBL10069117 0.72 ESR1 (0.59) ACP3SRCCYP2D6DPP4F2
SCHEMBL536997 0.72 DPP4 (0.41) ACP3SRCCYP2D6DPP4F2
SCHEMBL28837273 0.72 SRC (0.39) ACP3SRCCES2CES1PTPN1
SCHEMBL4274555 0.72 SRC (0.39) ACP3SRCCES2CES1PTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11667638-B2 4-substitued cytisine analogues THE UNIVERSITY OF BRISTOL 2023-06-06 US claimed
EP-4112620-A1 CYTISINE DERIVATIVES FOR THE TREATMENT OF ADDICTION The University of Bristol (GB) 2023-01-04 EP claimed
US-20200172544-A1 COMPOUNDS THE UNIVERSITY OF BRISTOL (GB) 2020-06-04 US claimed
EP-3500572-A2 CYTISINE DERIVATIVES FOR THE TREATMENT OF ADDICTION The University Of Bristol (GB) 2019-06-26 EP claimed
WO-2018033742-A2 COMPOUNDS THE UNIVERSITY OF BRISTOL (GB) 2018-02-22 WO claimed
CN-101969773-B compounds and methods for reducing uric acid WELLSTAT THERAPEUTICS CORP. (US) 2015-08-19 CN claimed
WO-2009080835-A1 THYROMIMETRIC COMPOUNDS IN TREATMENT OF DISEASE RELATED TO SONIC HEDGEHOG SIGNALLING KARO BIO AB (SE) 2009-07-02 WO claimed
US-20050137220-A1 Beta-carboline compounds and analogues thereof as mitogen-activated protein kinase-activated protein kinase-2 inhibitors PHARMACIA CORPORATION (US) 2005-06-23 US claimed
CN-1170827-C Benzofurylpyrone derivatives ������������ʽ���� 2004-10-13 CN claimed
EP-1063235-B1 BENZOFURYLPYRONE DERIVATIVES TEIJIN LTD (JP) 2004-05-12 EP claimed
JP-3187838-B2 2001-07-16 JP claimed
CN-1299359-A Benzofurylpyrone derivatives TEIJIN LTD (JP) 2001-06-13 CN claimed
EP-1063235-A1 BENZOFURYLPYRONE DERIVATIVES TEIJIN LIMITED (JP) 2000-12-27 EP claimed
EP-1047694-A1 BICYCLIC HETEROAROMATIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2000-11-02 EP claimed
WO-1999035146-A1 BICYCLIC HETEROAROMATIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 1999-07-15 WO claimed
CN-1147254-A Prodrugs of morpholine tachykinin receptor antagonists MERCK & CO INC (US) 1997-04-09 CN claimed
EP-0737195-A1 NEW GINKGOLIDE DERIVATIVES AND A PROCESS FOR PREPARING THEM SUNKYONG INDUSTRIES CO., LTD. (KR) 1996-10-16 EP claimed
US-5541183-A RESPIRATORY SYSTEM DISORDERS, SKIN DISORDERS AND PLATELET ACTIVATING FACTOR ANTAGONIST SUNKYONG INDUSTRIES CO., LTD. (KR) 1996-07-30 US claimed
WO-1995018131-A1 NEW GINKGOLIDE DERIVATIVES AND A PROCESS FOR PREPARING THEM SUNKYONG INDUSTRIES CO., LTD. (KR) 1995-07-06 WO claimed
US-4009277-A 1,2-Dialkyl-3,4,5-trisubstituted pyrazolium salts as fungicidal agents AMERICAN CYANAMID COMPANY (US) 1977-02-22 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 (3 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-20050137220-A1 Beta-carboline compounds and analogues thereof as mitogen-activated protein kinase-activated protein kinase-2 inhibitors MAPKAPK2, MAP4K2, MAP3K2 ACP3 3080/4885SRC 357/4885CES2 1928/4885
US-11667638-B2 4-substitued cytisine analogues CES2, CDA, PCYT1A ACP3 4727/4885SRC 3124/4885CES2 1/4885
US-20200172544-A1 COMPOUNDS CES2, CYCS, CHKB ACP3 4509/4885SRC 2513/4885CES2 1/4885

“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.