SCHEMBL18939799

SCHEMBL18939799

CS(=O)(=O)c1ccc2c(O)n(C(=O)O)cc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 2/20 0.42
▸ AKR1C2 P52895 2/20 0.42
▸ LMNA P02545 1/20 0.40
▸ ENPP2 Q13822 1/20 0.38
▸ CNR1 P21554 1/20 0.35
▸ SRC P12931 1/20 0.35
▸ PRKACA P17612 1/20 0.35
▸ PRKACG P22612 1/20 0.35
▸ PRKACB P22694 1/20 0.35
▸ EGLN1 Q9GZT9 1/20 0.35
▸ CCR2 P41597 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ PTGS2 P35354 2/20 0.34
▸ NQO2 P16083 1/20 0.34
▸ MTNR1A P48039 1/20 0.34
▸ MTNR1B P49286 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ HSP90AA1 P07900 1/20 0.34
▸ KMT2A Q03164 1/20 0.34

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
SCHEMBL18940080 0.85 TDP1 (0.39) LMNAALDH1A1KDM4EMEN1KMT2A
SCHEMBL18940025 0.81 AKR1C3 (0.40) AKR1C3AKR1C2LMNAPTGS2PTGS1
SCHEMBL18939899 0.80 AKR1C3 (0.39) AKR1C3AKR1C2LMNAEGLN1CCR2
SCHEMBL12278103 0.67 AKR1C3 (0.47) AKR1C3AKR1C2LMNAENPP2ALDH1A1
SCHEMBL12260002 0.67 AKR1C3 (0.47) AKR1C3AKR1C2LMNAENPP2ALDH1A1
SCHEMBL8035315 0.66 HSD17B1 (0.54) ENPP2PTGS2NQO2MTNR1AMTNR1B
SCHEMBL7698123 0.66 LMNA (0.42) AKR1C3AKR1C2LMNACCR2PTGS2
SCHEMBL12508320 0.66 AKR1C3 (0.58) AKR1C3AKR1C2LMNAENPP2PTGS2
SCHEMBL18940102 0.65 MMP13 (0.35) LMNAEGLN1ALDH1A1KDM4E
SCHEMBL15093582 0.65 NSD2 (0.45) AKR1C3AKR1C2LMNAENPP2SRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3390396-B1 ISOINDOLE COMPOUNDS ASTRAZENECA AB (SE) 2022-07-06 — — EP disclosed
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
US-10988445-B2 Compounds ASTRAZENECA AB (SE) 2021-04-27 — — US disclosed
US-20200181084-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2020-06-11 — — 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
US-10526286-B2 Compounds ASTRAZENECA AB (SE) 2020-01-07 — — US disclosed
US-20190084934-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2019-03-21 — — US disclosed
WO-2018229155-A1 2,3-DIHYDROISOINDOLE-1-CARBOXAMIDES USEFUL AS ROR-GAMMA MODULATORS ASTRAZENECA AB (SE) 2018-12-20 — — WO disclosed
EP-3390396-A1 ISOINDOLE COMPOUNDS Astrazeneca AB (SE) 2018-10-24 — — EP disclosed
US-10011566-B2 Compounds ASTRAZENECA AB (SE) 2018-07-03 — — US disclosed
WO-2017102784-A9 ISOINDOLE COMPOUNDS ASTRAZENECA AB (SE) 2018-04-05 — — WO disclosed
WO-2017102784-A1 ISOINDOLE COMPOUNDS ASTRAZENECA AB (SE) 2017-06-22 — — WO disclosed
US-20170166527-A1 Novel Compounds ASTRAZENECA AB (SE) 2017-06-15 — — US 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 (9 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-10526286-B2 Compounds RORC, RORB, RORA AKR1C3 818/4885AKR1C2 851/4885LMNA 4280/4885
US-10988445-B2 Compounds RORC, RORB, RORA AKR1C3 818/4885AKR1C2 851/4885LMNA 4280/4885
US-10011566-B2 Compounds RORC, RORB, RORA AKR1C3 818/4885AKR1C2 851/4885LMNA 4280/4885
US-20200115338-A1 NOVEL COMPOUNDS RORC, RORB, RORA AKR1C3 967/4885AKR1C2 900/4885LMNA 4342/4885
US-11034654-B2 2,3-dihydroisoindole-1-carboxamides useful as ROR-gamma modulators RORA, RORC, RORB AKR1C3 2472/4885AKR1C2 2373/4885LMNA 4281/4885
US-20200181084-A1 NOVEL COMPOUNDS RORC, RORB, RORA AKR1C3 967/4885AKR1C2 900/4885LMNA 4342/4885
US-20210380533-A1 2,3-DIHYDROISOINDOLE-1-CARBOXAMIDES USEFUL AS ROR-GAMMA MODULATORS RORA, RORC, RORB AKR1C3 2472/4885AKR1C2 2373/4885LMNA 4281/4885
US-20190084934-A1 NOVEL COMPOUNDS RORC, RORB, RORA AKR1C3 967/4885AKR1C2 900/4885LMNA 4342/4885
US-20170166527-A1 Novel Compounds RORC, RORB, RORA AKR1C3 967/4885AKR1C2 900/4885LMNA 4342/4885

“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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