SCHEMBL18078245

SCHEMBL18078245

CC(C)C[C@H](N)c1noc(CNC(=O)N2CCCC2C(=O)O)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 4/20 0.39
▸ RAB9A P51151 1/20 0.38
▸ ACE P12821 8/20 0.38
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ PKM P14618 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ F2 P00734 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ LTA4H P09960 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ PEPD P12955 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ PTGS1 P23219 1/20 0.37
▸ HTR2A P28223 1/20 0.37
▸ PTGS2 P35354 1/20 0.37
▸ HRH1 P35367 1/20 0.37
▸ THPO P40225 1/20 0.37
▸ PMP22 Q01453 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
SCHEMBL24058760 1.00 REN (0.39) RENRAB9AACECYP3A4CYP2C9
SCHEMBL24058544 0.87 ACE (0.37) RENRAB9AACECYP3A4CYP2C9
SCHEMBL24058502 0.87 ACE (0.37) RENRAB9AACECYP3A4CYP2C9
SCHEMBL21168279 0.86 ACE (0.43) RENACECYP3A4CYP2C9PKM
SCHEMBL21168328 0.86 ACE (0.43) RENACECYP3A4CYP2C9PKM
SCHEMBL21168276 0.85 ACE (0.35) RENACECYP3A4CYP2C9PKM
SCHEMBL21168332 0.85 ACE (0.35) RENACECYP3A4CYP2C9PKM
SCHEMBL21168380 0.85 FKBP1A (0.35) RENACECYP3A4CYP2C9PKM
SCHEMBL21168295 0.85 ACE (0.41) ACE
SCHEMBL21168296 0.85 ACE (0.41) ACE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4023645-A1 1,2,4-OXADIAZOLE AND THIADIAZOLE COMPOUNDS AS IMMUNOMODULATORS Aurigene Discovery Technologies Limited (IN) 2022-07-06 — — EP disclosed
EP-3267984-B1 1,2,4-OXADIAZOLE AND THIADIAZOLE COMPOUNDS AS IMMUNOMODULATORS AURIGENE DISCOVERY TECH LTD (IN) 2021-11-24 — — EP disclosed
US-20200361880-A1 1,2,4-Oxadiazole and Thiadiazole Compounds as Immunomodulators AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2020-11-19 — — US disclosed
US-10781189-B2 1,2,4-Oxadiazole and thiadiazole compounds as immunomodulators AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2020-09-22 — — US disclosed
US-20180044303-A1 1,2,4-OXADIAZOLE AND THIADIAZOLE COMPOUNDS AS IMMUNOMODULATORS AURIGENE ONCOLOGY LIMITED (IN) 2018-02-15 — — US disclosed
US-20180044303-A1 1,2,4-OXADIAZOLE AND THIADIAZOLE COMPOUNDS AS IMMUNOMODULATORS AURIGENE ONCOLOGY LIMITED (IN) 2018-02-15 — — US disclosed
WO-2016142833-A1 1,2,4-OXADIAZOLE AND THIADIAZOLE COMPOUNDS AS IMMUNOMODULATORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2016-09-15 — — 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-10781189-B2 1,2,4-Oxadiazole and thiadiazole compounds as immunomodulators PDCD1, PDCD1LG2, CD274 REN 4666/4885RAB9A 4205/4885ACE 3938/4885
US-20200361880-A1 1,2,4-Oxadiazole and Thiadiazole Compounds as Immunomodulators PDCD1, CD274, PDCD1LG2 REN 4533/4885RAB9A 4082/4885ACE 3762/4885
US-20180044303-A1 1,2,4-OXADIAZOLE AND THIADIAZOLE COMPOUNDS AS IMMUNOMODULATORS PDCD1, PDCD1LG2, CD274 REN 4666/4885RAB9A 4205/4885ACE 3938/4885

“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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