SCHEMBL21382913

SCHEMBL21382913

O=S(=O)(Oc1ccc2c(c1)SCCO2)C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 4/20 0.43
WNT3A P56704 4/20 0.43
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
DRD2 P14416 4/20 0.37
DRD3 P35462 4/20 0.37
DRD4 P21917 3/20 0.37
CHRM1 P11229 2/20 0.37
SLC6A4 P31645 1/20 0.36
HTR2C P28335 1/20 0.36
HTR7 P34969 1/20 0.36
HTR6 P50406 1/20 0.36
HSD11B1 P28845 1/20 0.36
HTR1D P28221 3/20 0.34
HTR1A P08908 2/20 0.34
HTR1B P28222 2/20 0.34
DRD1 P21728 1/20 0.32
DRD5 P21918 1/20 0.32

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
SCHEMBL21381117 0.86 HSD11B1 (0.40) CA1CA2DRD2DRD3DRD4
SCHEMBL20893470 0.77 HSD11B1 (0.40) CA1CA2DRD2DRD3DRD4
SCHEMBL18352140 0.74 KDM4E (0.47) CTNNB1WNT3A
SCHEMBL6938761 0.73 MAOB (0.47) CA2DRD2DRD3DRD4CHRM1
SCHEMBL6265978 0.72 DRD2 (0.43) CA1CA2DRD2DRD3DRD4
SCHEMBL24362397 0.72 KDM4E (0.61) CA1CA2DRD2DRD3DRD4
SCHEMBL30548821 0.72 KDM4E (0.61) CA1CA2DRD2DRD3DRD4
SCHEMBL6087253 0.72 MAOB (0.43) DRD2DRD3DRD4CHRM1HSD11B1
SCHEMBL6557372 0.71 PTGS1 (0.42) CA1CA2DRD2DRD3DRD4
SCHEMBL14780466 0.70

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11311528-B2 Oxo-tetrahydro-isoquinoline carboxylic acids as STING inhibitors MERCK SHARP & DOHME CORP. (US) 2022-04-26 US disclosed
US-20210052573-A1 OXO-TETRAHYDRO-ISOQUINOLINE CARBOXYLIC ACIDS AS STING INHIBITORS MERCK SHARP & DOHME CORP. (US) 2021-02-25 US disclosed
EP-3768266-A1 OXO-TETRAHYDRO-ISOQUINOLINE CARBOXYLIC ACIDS AS STING INHIBITORS Merck Sharp&Dohme Corp. (US) 2021-01-27 EP disclosed
WO-2019182886-A1 OXO-TETRAHYDRO-ISOQUINOLINE CARBOXYLIC ACIDS AS STING INHIBITORS MERCK SHARP & DOHME CORP. (US) 2019-09-26 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 (2 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-11311528-B2 Oxo-tetrahydro-isoquinoline carboxylic acids as STING inhibitors STING1, MAVS, CGAS CTNNB1 4359/4885WNT3A 4573/4885CA1 4015/4885
US-20210052573-A1 OXO-TETRAHYDRO-ISOQUINOLINE CARBOXYLIC ACIDS AS STING INHIBITORS STING1, MAVS, CGAS CTNNB1 4359/4885WNT3A 4573/4885CA1 4015/4885

“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.