SCHEMBL8563867

SCHEMBL8563867

CC(=O)c1cc(C(F)(F)F)ccn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.48
NOS2 P35228 1/20 0.48
ALDH1A1 P00352 4/20 0.46
GAA P10253 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
DDR1 Q08345 1/20 0.43
TLR7 Q9NYK1 2/20 0.42
CES2 O00748 2/20 0.42
KMT2A Q03164 3/20 0.41
POLB P06746 1/20 0.41
ADRB2 P07550 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.41
KMO O15229 1/20 0.40
PSEN1 P49768 1/20 0.40
PSEN2 P49810 1/20 0.40
APH1B Q8WW43 1/20 0.40
NCSTN Q92542 1/20 0.40
APH1A Q96BI3 1/20 0.40
PSENEN Q9NZ42 1/20 0.40
P4HB P07237 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
SCHEMBL29553421 1.00 NOS3 (0.48) NOS3NOS2ALDH1A1GAAL3MBTL1
SCHEMBL29838843 0.85 NOS3 (0.52) NOS3NOS2ALDH1A1GAAL3MBTL1
SCHEMBL1991324 0.85 NOS3 (0.52) NOS3NOS2ALDH1A1GAAL3MBTL1
SCHEMBL29537506 0.83 KDM4E (0.55) NOS3NOS2ALDH1A1L3MBTL1TLR7
SCHEMBL6170594 0.83 ALDH1A1 (0.47) ALDH1A1GAAKDM4EMAPT
SCHEMBL222146 0.83 KDM4E (0.55) NOS3NOS2ALDH1A1L3MBTL1TLR7
SCHEMBL24355437 0.83 ALDH1A1 (0.41) NOS3NOS2ALDH1A1GAAL3MBTL1
SCHEMBL30092276 0.82 CFTR (0.55) NOS3NOS2ALDH1A1GAAL3MBTL1
SCHEMBL24198748 0.82 NOS3 (0.46) NOS3NOS2ALDH1A1GAAL3MBTL1
SCHEMBL16098050 0.82 CFTR (0.55) NOS3NOS2ALDH1A1GAAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118355004-A Cyclopropyl- (heteroaryl) -substituted ethylsulfonyl-pyridine derivatives 勃林格殷格翰动物保健有限公司 2024-07-16 CN disclosed
EP-3356387-B1 ANTIMICROBIAL POLYMYXIN DERIVATIVE COMPOUNDS UNIV MONASH (AU) 2024-06-26 EP disclosed
WO-2023183813-A2 BORON-CAPPED CLATHROCHELATE AND MACROCYCLIC LIGANDS AND METAL COMPLEXES THEREOF U-REIF INVESTMENTS LIMITED PARTNERSHIP (CA) 2023-09-28 WO disclosed
US-20230234951-A1 CYCLOPROPYL-(HETERO)ARYL-SUBSTITUTED ETHYLSULPHONYL-PYRIDINE DERIVATIVES BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2023-07-27 US disclosed
US-20230234951-A1 CYCLOPROPYL-(HETERO)ARYL-SUBSTITUTED ETHYLSULPHONYL-PYRIDINE DERIVATIVES BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2023-07-27 US disclosed
US-20160287607-A1 NON-RETINOID ANTAGONISTS FOR TREATMENT OF AGE-RELATED MACULAR DEGENERATION AND STARGARDT DISEASE THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2016-10-06 US disclosed
US-9333202-B2 Non-retinoid antagonists for treatment of age-related macular degeneration and stargardt disease THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2016-05-10 US disclosed
US-20150126494-A1 NON-RETINOID ANTAGONISTS FOR TREATMENT OF AGE-RELATED MACULAR DEGENERATION AND STARGARDT DISEASE THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2015-05-07 US disclosed
EP-0586393-B1 SUBSTITUTED-2-PHENYL-3-METHOXYPROPENOATES AS FUNGICIDES ZENECA LTD (GB) 1998-06-17 EP disclosed
US-5439910-A For applying to plants, seeds or soils ZENECA LIMITED (GB) 1995-08-08 US disclosed
EP-0586393-A1 SUBSTITUTED-2-PHENYL-3-METHOXYPROPENOATES AS FUNGICIDES ZENECA LIMITED (GB) 1994-03-16 EP disclosed
WO-1992018487-A1 SUBSTITUTED-2-PHENYL-3-METHOXYPROPENOATES AS FUNGICIDES ZENECA LIMITED (GB) 1992-10-29 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 (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-20150126494-A1 NON-RETINOID ANTAGONISTS FOR TREATMENT OF AGE-RELATED MACULAR DEGENERATION AND STARGARDT DISEASE RBP4, RBP1, LRAT NOS3 3751/4885NOS2 4163/4885ALDH1A1 857/4885
US-20160287607-A1 NON-RETINOID ANTAGONISTS FOR TREATMENT OF AGE-RELATED MACULAR DEGENERATION AND STARGARDT DISEASE RBP4, RBP1, LRAT NOS3 3751/4885NOS2 4163/4885ALDH1A1 857/4885
US-20230234951-A1 CYCLOPROPYL-(HETERO)ARYL-SUBSTITUTED ETHYLSULPHONYL-PYRIDINE DERIVATIVES CYCS, CYP2E1, AHR NOS3 2530/4885NOS2 3021/4885ALDH1A1 637/4885

“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.