SCHEMBL766077

SCHEMBL766077

CC(=O)c1cc(Br)cc(C(F)(F)F)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.67
CES2 O00748 2/20 0.50
RXRA P19793 1/20 0.48
RXRB P28702 1/20 0.48
RXRG P48443 1/20 0.48
DDR1 Q08345 2/20 0.43
ACP1 P24666 1/20 0.42
KIF11 P52732 1/20 0.40
GPBAR1 Q8TDU6 1/20 0.40
AKR1C3 P42330 1/20 0.40
AKR1C2 P52895 1/20 0.40
TAS2R14 Q9NYV8 1/20 0.40
CA5A P35218 1/20 0.39
HDAC3 O15379 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
GAA P10253 1/20 0.38
TMPRSS4 Q9NRS4 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL29755307 0.87 NOTUM (0.51) NOTUMCES2RXRARXRBRXRG
SCHEMBL96116 0.86 CES2 (0.67) NOTUMCES2RXRARXRBRXRG
SCHEMBL15517073 0.84 NOTUM (0.61) NOTUMCES2RXRARXRBRXRG
SCHEMBL12187515 0.82 NOTUM (0.46) NOTUMRXRARXRBRXRGAKR1C3
SCHEMBL494019 0.82 NOTUM (0.64) NOTUMCES2RXRARXRBRXRG
Formaldehyde SCHEMBL459554 0.82 CES2 (0.61) NOTUMCES2RXRARXRBRXRG
SCHEMBL27856961 0.81 NOTUM (0.63) NOTUMCES2RXRARXRBRXRG
SCHEMBL31144857 0.81 NOTUM (0.62) NOTUMCES2DDR1ACP1GPBAR1
SCHEMBL627581 0.81 NOTUM (0.62) NOTUMCES2DDR1ACP1GPBAR1
SCHEMBL477562 0.81 NOTUM (0.62) NOTUMCES2RXRARXRBRXRG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12527325-B2 Pesticidally active diazine-amide compounds SYNGENTA CROP PROTECTION AG (CH) 2026-01-20 US disclosed
EP-3947358-B1 PESTICIDALLY ACTIVE DIAZINE-AMIDE COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2025-06-18 EP disclosed
CN-113661165-B Pesticidally active diazine-amide compounds 先正达农作物保护股份公司 2025-05-23 CN disclosed
US-20250154107-A1 3,4-Dihydroisoquinolin-1(2H)-Ones Derivatives as STING Antagonists and the Use Thereof BEIGENE SWITZERLAND GMBH (CH) 2025-05-15 US disclosed
US-12281095-B2 Pesticidally active diazine-amide compounds SYNGENTA CROP PROTECTION AG (CH) 2025-04-22 US disclosed
CN-113631549-B Pesticidally active diazine-amide compounds 先正达农作物保护股份公司 2025-01-17 CN disclosed
EP-4448513-A1 3, 4-DIHYDROISOQUINOLIN-1 (2H) -ONES DERIVATIVES AS STING ANTAGONISTS AND THE USE THEREOF BeiGene Switzerland GmbH (CH) 2024-10-23 EP disclosed
CN-113024608-B Organic electroluminescent device and organometallic compound for organic electroluminescent device 三星显示有限公司 2024-10-01 CN disclosed
US-20240279214-A1 ALPHA4 BETA7 INEGRIN ANTAGONISTS AND USES THEREOF XINTHERA, INC. 2024-08-22 US disclosed
CN-118401514-A 3, 4-Dihydroisoquinolin-1 (2H) -one derivatives as STING antagonists and uses thereof 百济神州有限公司 2024-07-26 CN disclosed
US-20090124613-A1 Substituted Heterocyclic Ethers and Their Use in CNS Disorders BRISTOL-MYERS SQUIBB COMPANY 2009-05-14 US disclosed
US-20070249607-A1 NK-1 AND SEROTONIN TRANSPORTER INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-10-25 US disclosed
US-20070249607-A1 NK-1 AND SEROTONIN TRANSPORTER INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-10-25 US disclosed
US-20070249607-A1 NK-1 AND SEROTONIN TRANSPORTER INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-10-25 US disclosed
WO-2007121389-A2 4,4-DISUBSTITUTED PIPERIDINE DERIVATIVES AS NK-I AND SEROTONIN TRANSPORTER INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-10-25 WO disclosed
WO-2007121389-A2 4,4-DISUBSTITUTED PIPERIDINE DERIVATIVES AS NK-I AND SEROTONIN TRANSPORTER INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-10-25 WO disclosed
EP-0735142-B1 Process for producing (R)-styrene oxides SUMIKA FINE CHEMICALS CO LTD (JP) 2001-10-24 EP disclosed
US-5945382-A AND A METHOD OF THEIR PREPARATION BY CHLORINATION OF AN INTERMEDIATE ARYLPYRAZOLE; PROTECTION AGAINST FUNGAL DISEASES IN TOMATO, RICE, AND WHEAT PLANTS RHONE-POULENC AGROCHIMIE (FR) 1999-08-31 US disclosed
US-5717116-A TREATING A MIXTURE OF PHENYLHALOGENOMETHYLCARBINOLS WITH A LIPASE IN THE PRESENCE OF A CARBOXYLATE FOLLOWED BY CYCLIZATION WITH A BASE SUMIKA FINE CHEMICALS COMPANY, LIMITED (JP) 1998-02-10 US disclosed
EP-0735142-A2 Process for producing (R)-styrene oxides SUMIKA FINE CHEMICAL COMPANY, LTD. (JP) 1996-10-02 EP 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 (6 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-12527325-B2 Pesticidally active diazine-amide compounds DDT, CHRM1, C3AR1 NOTUM 302/4885CES2 248/4885RXRA 3854/4885
US-20240279214-A1 ALPHA4 BETA7 INEGRIN ANTAGONISTS AND USES THEREOF ITGB7, ITGB4, ITGA4 NOTUM 3865/4885CES2 4406/4885RXRA 1005/4885
US-20070249607-A1 NK-1 AND SEROTONIN TRANSPORTER INHIBITORS SLC6A4, TPH1, SLC6A2 NOTUM 4726/4885CES2 3320/4885RXRA 4770/4885
US-12281095-B2 Pesticidally active diazine-amide compounds DDT, ACHE, NIT2 NOTUM 236/4885CES2 712/4885RXRA 4218/4885
US-20090124613-A1 Substituted Heterocyclic Ethers and Their Use in CNS Disorders CNR1, CNR2, PMP22 NOTUM 2417/4885CES2 41/4885RXRA 828/4885
US-20250154107-A1 3,4-Dihydroisoquinolin-1(2H)-Ones Derivatives as STING Antagonists and the Use Thereof STING1, IRF3, MAVS NOTUM 4771/4885CES2 4707/4885RXRA 2209/4885

“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.