SCHEMBL24076972

SCHEMBL24076972

CCc1nn(CC(=O)O)c(=O)c2ccc(OC)cc12

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 1/20 0.65
▸ AKR1B1 P15121 4/20 0.53
▸ TSHR P16473 1/20 0.50
▸ CYP1A2 P05177 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ CMA1 P23946 2/20 0.45
▸ S1PR2 O95136 3/20 0.45
▸ MAPT P10636 1/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ PTGDR2 Q9Y5Y4 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ PKM P14618 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ KMT2A Q03164 1/20 0.44

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
SCHEMBL24076242 0.88 CYP2C19 (0.58) ALOX15AKR1B1CYP1A2CYP3A4CYP2C9
SCHEMBL24076920 0.83 ALOX15 (0.70) ALOX15AKR1B1TSHRCYP1A2CYP3A4
SCHEMBL24076925 0.83 ALOX15 (0.70) ALOX15AKR1B1TSHRCYP1A2CYP3A4
SCHEMBL30168552 0.82 ALOX15 (0.68) ALOX15AKR1B1TSHRCYP1A2CYP3A4
SCHEMBL24077161 0.82 ALOX15 (0.68) ALOX15AKR1B1TSHRCYP1A2CYP3A4
SCHEMBL30168576 0.81 NLRP3 (0.47) ALOX15AKR1B1ALDH1A1GAAPKM
SCHEMBL24077328 0.81 NLRP3 (0.47) ALOX15AKR1B1ALDH1A1GAAPKM
SCHEMBL24077130 0.80 ALOX15 (0.65) ALOX15AKR1B1TSHRCYP1A2CYP3A4
SCHEMBL24076918 0.80 ALOX15 (0.65) ALOX15AKR1B1TSHRCYP1A2CYP3A4
SCHEMBL24076967 0.79 ALOX15 (1.00) ALOX15AKR1B1TSHRCYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230202989-A1 COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2023-06-29 — — US disclosed
US-20230202989-A1 COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2023-06-29 — — US disclosed
WO-2021239885-A1 COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2021-12-02 — — 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 (1 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-20230202989-A1 COMPOUNDS NLRP3, NLRP1, IL1B ALOX15 289/4885AKR1B1 162/4885TSHR 4236/4885

“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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