SCHEMBL965092

SCHEMBL965092

Cc1ccc(S(=O)(=O)OC[C@H]2CC[C@@H](NC(=O)OC(C)(C)C)C2)cc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 7/20 0.44
MAOB P27338 2/20 0.42
KDM1A O60341 1/20 0.42
MAOA P21397 1/20 0.41
BTK Q06187 1/20 0.41
KMT2A Q03164 4/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ACACB O00763 1/20 0.39
HPGD P15428 1/20 0.39
DRD3 P35462 1/20 0.39
RORC P51449 1/20 0.39
KAT6A Q92794 1/20 0.38
KAT5 Q92993 1/20 0.38
MEN1 O00255 2/20 0.37
ALDH1A1 P00352 2/20 0.37
KAT8 Q9H7Z6 1/20 0.37
CYP2C9 P11712 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
SCHEMBL25318818 1.00 DRD2 (0.44) DRD2MAOBKDM1AMAOABTK
SCHEMBL6642035 1.00 DRD2 (0.44) DRD2MAOBKDM1AMAOABTK
SCHEMBL25322196 0.94 BTK (0.47) DRD2MAOBKDM1AMAOABTK
SCHEMBL942084 0.93 DRD2 (0.46) DRD2MAOBKDM1AMAOAKMT2A
SCHEMBL942085 0.93 DRD2 (0.46) DRD2MAOBKDM1AMAOAKMT2A
SCHEMBL9885083 0.93 DRD2 (0.46) DRD2MAOBKDM1AMAOAKMT2A
SCHEMBL27228950 0.92 MAOB (0.43) DRD2MAOBKDM1AMAOABTK
SCHEMBL27232496 0.92 MAOB (0.43) DRD2MAOBKDM1AMAOABTK
SCHEMBL28410550 0.85 DRD2 (0.47) DRD2MAOBKDM1AMAOAKMT2A
SCHEMBL6834376 0.85 DRD2 (0.48) DRD2MAOBKDM1ABTKKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12459922-B2 PARP7 inhibitors GILEAD SCIENCES, INC. (US) 2025-11-04 US disclosed
EP-4469448-A1 PARP7 INHIBITORS GILEAD SCIENCES, INC. (US) 2024-12-04 EP disclosed
US-20230365529-A1 PARP7 INHIBITORS GILEAD SCIENCES, INC. 2023-11-16 US disclosed
US-20230365529-A1 PARP7 INHIBITORS GILEAD SCIENCES, INC. 2023-11-16 US disclosed
WO-2023147418-A1 PARP7 INHIBITORS GILEAD SCIENCES, INC. (US) 2023-08-03 WO disclosed
WO-2023147418-A1 PARP7 INHIBITORS GILEAD SCIENCES, INC. (US) 2023-08-03 WO disclosed
US-9067966-B2 Lupeol-type triterpene derivatives as antivirals HETERO RESEARCH FOUNDATION, HETERO DRUGS LTD. (IN) 2015-06-30 US disclosed
US-9067966-B2 Lupeol-type triterpene derivatives as antivirals HETERO RESEARCH FOUNDATION, HETERO DRUGS LTD. (IN) 2015-06-30 US disclosed
EP-2454270-B1 LUPEOL-TYPE TRITERPENE DERIVATIVES AS ANTIVIRALS HETERO RESEARCH FOUNDATION (IN) 2015-02-11 EP disclosed
EP-2454270-B1 LUPEOL-TYPE TRITERPENE DERIVATIVES AS ANTIVIRALS HETERO RESEARCH FOUNDATION (IN) 2015-02-11 EP disclosed
EP-2454270-A2 LUPEOL-TYPE TRITERPENE DERIVATIVES AS ANTIVIRALS Hetero Research Foundation (IN) 2012-05-23 EP disclosed
WO-2011007230-A2 LUPEOL-TYPE TRITERPENE DERIVATIVES AS ANTIVIRALS HETERO RESEARCH FOUNDATION (IN) 2011-01-20 WO disclosed
US-20110015196-A1 LUPEOL-TYPE TRITERPENE DERIVATIVES AS ANTIVIRALS HETERO RESEARCH FOUNDATION (IN) 2011-01-20 US disclosed
EP-1250340-B1 METHODS AND COMPOUNDS FOR INHIBITING MRP1 LILLY CO ELI (US) 2004-11-17 EP disclosed
US-20040176405-A1 Methods and compounds for inhibitting MRP1 KROIN JULIAN (US) 2004-09-09 US disclosed
US-6743794-B2 MULTIDRUG RESISTANCE PROTEIN; CANCER; 3-(9-CHLORO-3-METHYL-4-OXO-5H-ISOXAZOLO(4,3-C)QUINOLIN-5-YL)) CYCLOHEXYL)-2-PIPERIDYLACETAMIDE ELI LILLY AND COMPANY 2004-06-01 US disclosed
US-20030100576-A1 Methods and compounds for inhibiting mrp1 ELI LILLY AND COMPANY 2003-05-29 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 (5 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-20110015196-A1 LUPEOL-TYPE TRITERPENE DERIVATIVES AS ANTIVIRALS MAVS, IRF3, LSS DRD2 2351/4885MAOB 4331/4885KDM1A 4256/4885
US-20040176405-A1 Methods and compounds for inhibitting MRP1 ABCC1, ABCB11, ABCB1 DRD2 4464/4885MAOB 1898/4885KDM1A 4351/4885
US-12459922-B2 PARP7 inhibitors PARP1, PARP11, PARP2 DRD2 2592/4885MAOB 3485/4885KDM1A 366/4885
US-20030100576-A1 Methods and compounds for inhibiting mrp1 ABCC1, ABCB11, ABCB1 DRD2 4497/4885MAOB 1958/4885KDM1A 4391/4885
US-20230365529-A1 PARP7 INHIBITORS PARP1, PARP11, PARP2 DRD2 2592/4885MAOB 3485/4885KDM1A 366/4885

“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.