SCHEMBL20589330

SCHEMBL20589330

NCCC(c1ccc(NC(=O)O)cc1)(C(F)(F)F)C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 1/20 0.43
▸ KIF11 P52732 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ PTGS1 P23219 3/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ MLYCD O95822 2/20 0.40
▸ PDK1 Q15118 1/20 0.40
▸ PDK2 Q15119 1/20 0.40
▸ PDK3 Q15120 1/20 0.40
▸ PDK4 Q16654 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ RORC P51449 1/20 0.39
▸ TGM2 P21980 1/20 0.38
▸ ALDH1A1 P00352 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
SCHEMBL20589069 0.90 EPHX2 (0.43) EPHX2KIF11SMN1; SMN2NPC1RAB9A
SCHEMBL20588187 0.87 EPHX2 (0.43) EPHX2KIF11SMN1; SMN2NPC1RAB9A
SCHEMBL20588802 0.81 SMN1; SMN2 (0.47) EPHX2SMN1; SMN2NPC1RAB9APDK1
SCHEMBL23502339 0.80 CYP17A1 (0.45) SMN1; SMN2L3MBTL1PDK1PDK2PDK3
SCHEMBL20588181 0.80 EPHX2 (0.37) EPHX2KIF11SMN1; SMN2NPC1RAB9A
SCHEMBL21840421 0.78 DHODH (0.43) EPHX2KIF11SMN1; SMN2NPC1RAB9A
SCHEMBL28459398 0.75 EPHX2 (0.52) EPHX2KIF11SMN1; SMN2NPC1RAB9A
SCHEMBL2096237 0.75 EPHX2 (0.52) EPHX2KIF11SMN1; SMN2NPC1RAB9A
SCHEMBL935645 0.75 EPHX2 (0.73) EPHX2KIF11NPC1RAB9APTGS1
SCHEMBL3434346 0.74 SMN1; SMN2 (0.71) EPHX2SMN1; SMN2NPC1RAB9AMLYCD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210380533-A1 2,3-DIHYDROISOINDOLE-1-CARBOXAMIDES USEFUL AS ROR-GAMMA MODULATORS ASTRAZENECA AB (SE) 2021-12-09 — — US disclosed
US-11034654-B2 2,3-dihydroisoindole-1-carboxamides useful as ROR-gamma modulators ASTRAZENECA AB (SE) 2021-06-15 — — US disclosed
EP-3638661-A1 2,3-DIHYDROISOINDOLE-1-CARBOXAMIDES USEFUL AS ROR-GAMMA MODULATORS Astrazeneca AB (SE) 2020-04-22 — — EP disclosed
US-20200115338-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2020-04-16 — — US disclosed
WO-2018229155-A1 2,3-DIHYDROISOINDOLE-1-CARBOXAMIDES USEFUL AS ROR-GAMMA MODULATORS ASTRAZENECA AB (SE) 2018-12-20 — — 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 (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-20200115338-A1 NOVEL COMPOUNDS RORC, RORB, RORA EPHX2 1977/4885KIF11 2594/4885SMN1; SMN2 1617/4885
US-11034654-B2 2,3-dihydroisoindole-1-carboxamides useful as ROR-gamma modulators RORA, RORC, RORB EPHX2 2047/4885KIF11 3040/4885SMN1; SMN2 2438/4885
US-20210380533-A1 2,3-DIHYDROISOINDOLE-1-CARBOXAMIDES USEFUL AS ROR-GAMMA MODULATORS RORA, RORC, RORB EPHX2 2047/4885KIF11 3040/4885SMN1; SMN2 2438/4885

“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.

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