SCHEMBL973055

SCHEMBL973055

O=C(O)c1ccc(CBr)c(F)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.50
NR1H4 Q96RI1 1/20 0.50
LMNA P02545 2/20 0.49
MAPK1 P28482 2/20 0.49
HTT P42858 1/20 0.49
RAB9A P51151 1/20 0.49
RXRA P19793 1/20 0.47
TSHR P16473 2/20 0.41
TP53 P04637 1/20 0.41
KDM4E B2RXH2 2/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
CA4 P22748 1/20 0.41
CA6 P23280 1/20 0.41
PTGS2 P35354 1/20 0.41
CA7 P43166 1/20 0.41

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
SCHEMBL27142279 0.85 RXRA (0.48) EPHX2NR1H4LMNAMAPK1HTT
SCHEMBL4259943 0.85 MRGPRX4 (0.50) EPHX2NR1H4LMNAMAPK1HTT
SCHEMBL20300366 0.83 PARP1 (0.44) TSHRCES2CES1HSD17B10PTPN1
SCHEMBL4124943 0.82 EPHX2 (0.55) EPHX2NR1H4LMNAMAPK1HTT
SCHEMBL7513592 0.82 EPHX2 (0.51) EPHX2NR1H4LMNAMAPK1HTT
SCHEMBL3980824 0.82 TSHR (0.46) MAPK1TSHRTP53KDM4ECA12
SCHEMBL30028599 0.82 TSHR (0.46) MAPK1TSHRTP53KDM4ECA12
SCHEMBL3600105 0.81 EPHX2 (0.50) EPHX2NR1H4LMNAMAPK1HTT
SCHEMBL5607791 0.81 EPHX2 (0.50) EPHX2NR1H4LMNAMAPK1HTT
SCHEMBL3128273 0.80 EPHX2 (0.50) EPHX2NR1H4LMNAMAPK1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240308989-A1 PYRAN DERIVATIVES AS CYP11A1 (CYTOCHROME P450 MONOOXYGENASE 11A1) INHIBITORS ORION CORP (FI) 2024-09-19 US disclosed
US-12030871-B2 Pyran dervatives as CYP11A1 (cytochrome P450 monooxygenase 11A1) inhibitors ORION CORPORATION (FI) 2024-07-09 US disclosed
US-12030871-B2 Pyran dervatives as CYP11A1 (cytochrome P450 monooxygenase 11A1) inhibitors ORION CORPORATION (FI) 2024-07-09 US disclosed
US-12030871-B2 Pyran dervatives as CYP11A1 (cytochrome P450 monooxygenase 11A1) inhibitors ORION CORPORATION (FI) 2024-07-09 US disclosed
CN-112409331-B Heterocyclic derivative inhibitor, preparation method and application thereof 上海翰森生物医药科技有限公司 2024-02-20 CN disclosed
CN-116162084-A Pyran derivatives as CYP11A1 inhibitors 奥赖恩公司 2023-05-26 CN disclosed
CN-110139861-B Pyran derivatives as CYP11A1 (cytochrome P450 monooxygenase 11A 1) inhibitors 奥赖恩公司 2022-12-30 CN disclosed
US-20210347765-A1 PYRAN DERVATIVES AS CYP11A1 (CYTOCHROME P450 MONOOXYGENASE 11A1) INHIBITORS ORION CORPORATION 2021-11-11 US disclosed
US-20210347765-A1 PYRAN DERVATIVES AS CYP11A1 (CYTOCHROME P450 MONOOXYGENASE 11A1) INHIBITORS ORION CORPORATION 2021-11-11 US disclosed
CN-108026056-B 1,3, 4-oxadiazole amide derivative compounds as histone deacetylase 6 inhibitors and pharmaceutical compositions thereof 株式会社钟根堂 2021-08-03 CN disclosed
US-20050131014-A1 Quinolines useful in treating cardiovascular disease WYETH (US) 2005-06-16 US disclosed
US-20050065066-A1 comprising insulin and novel ligands for the HisB10 Zn2+ sites of the R-state insulin hexamer; physical and chemical stability NOVO NORDISK A/S (DK) 2005-03-24 US disclosed
WO-2004080481-A1 NOVEL NPH INSULIN PREPARATIONS NOVO NORDISK A/S (DK) 2004-09-23 WO disclosed
WO-2004080480-A1 PHARMACEUTICAL PREPARATIONS COMPRISING ACID-STABILISED INSULIN NOVO NORDISK A/S (DK) 2004-09-23 WO disclosed
WO-2004056347-A2 PHARMACEUTICAL COMPOSITIONS COMPRISING INSULIN AND LEGENDS OF INSULIN HEXAMER NOVO NORDISK A/S (DK) 2004-07-08 WO disclosed
US-6693098-B2 CARBOXYLIC ACID OR TETRAZOLE DERIVATIVES CONTAINING CARBAMATE GROUPS ARE USEFUL FOR TREATING THE CONDITIONS ASSOCIATED WITH THE URINARY TRACT, PAIN, INFLAMMATION, RESPIRATORY STATES, EDEMA FORMATION OF HYPOTENSIVE VASCULAR DISEASES SYNTEX (U.S.A) LLC 2004-02-17 US disclosed
US-20030220367-A1 Carboxylic acid derivatives as IP antagonists COURNOYER RICHARD LEO (US) 2003-11-27 US disclosed
EP-1265853-A1 CARBOXYLIC ACID DERIVATIVES AS IP ANTAGONISTS F. Hoffmann-La Roche AG (CH) 2002-12-18 EP disclosed
US-20010056100-A1 Carboxylic acid derivatives as IP antagonists SYNTEX (U.S.A.) LLC 2001-12-27 US disclosed
WO-2001068591-A1 CARBOXYLIC ACID DERIVATIVES AS IP ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2001-09-20 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-20030220367-A1 Carboxylic acid derivatives as IP antagonists GABRP, GPBAR1, FFAR1 EPHX2 845/4885NR1H4 101/4885LMNA 4566/4885
US-20010056100-A1 Carboxylic acid derivatives as IP antagonists GABRP, GPBAR1, FFAR1 EPHX2 899/4885NR1H4 105/4885LMNA 4589/4885
US-20210347765-A1 PYRAN DERVATIVES AS CYP11A1 (CYTOCHROME P450 MONOOXYGENASE 11A1) INHIBITORS CYP11B1, CYP11B2, CYP4A11 EPHX2 2690/4885NR1H4 111/4885LMNA 2856/4885
US-12030871-B2 Pyran dervatives as CYP11A1 (cytochrome P450 monooxygenase 11A1) inhibitors CYP11B1, CYP11B2, CYP4A11 EPHX2 2690/4885NR1H4 111/4885LMNA 2856/4885
US-20240308989-A1 PYRAN DERIVATIVES AS CYP11A1 (CYTOCHROME P450 MONOOXYGENASE 11A1) INHIBITORS CYP11B1, CYP11B2, CYP4A11 EPHX2 2591/4885NR1H4 134/4885LMNA 2622/4885
US-20050131014-A1 Quinolines useful in treating cardiovascular disease NR1H2, NR1H3, SREBF1 EPHX2 1684/4885NR1H4 5/4885LMNA 1278/4885
US-20050065066-A1 comprising insulin and novel ligands for the HisB10 Zn2+ sites of the R-state insulin hexamer; physical and chemical stability IAPP, IRS1, INSR EPHX2 4633/4885NR1H4 708/4885LMNA 4335/4885

“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.