SCHEMBL21176191

SCHEMBL21176191

CC(C(=O)C(=O)NCC1CC1)N(Cc1ccccc1)S(C)(=O)=O

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 4/20 0.43
HTT P42858 1/20 0.42
PTGES O14684 1/20 0.42
TSHR P16473 3/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2D6 P10635 2/20 0.40
CYP2C9 P11712 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPK1 P28482 1/20 0.40
MEN1 O00255 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL19975068 0.81 PTGES (0.43) CXCR3PTGESKMT2AMEN1SMN1; SMN2
SCHEMBL19974898 0.81 POLB (0.54) HTTTSHRCYP3A4CYP2D6CYP2C9
SCHEMBL19975119 0.81 SMN1; SMN2 (0.43) CXCR3HTTPTGESTSHRCYP3A4
SCHEMBL28315296 0.79 USP2 (0.42) CXCR3KMT2ASIGMAR1ALDH1A1GAA
SCHEMBL19974922 0.77 SMN1; SMN2 (0.47) CXCR3PTGESKMT2AMEN1SMN1; SMN2
SCHEMBL21176355 0.77 SMN1; SMN2 (0.44) CXCR3PTGESKMT2AMEN1SMN1; SMN2
SCHEMBL21176279 0.76 GBA1 (0.43) CXCR3CYP2C9KMT2AMEN1ALDH1A1
SCHEMBL21176321 0.74 MEN1 (0.33) KMT2AMEN1
SCHEMBL19974906 0.74 F2 (0.43) CXCR3HTTPTGESKMT2AMEN1
SCHEMBL19975178 0.73 PTGIR (0.43) TSHRCYP3A4SMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220356148-A1 ANTIVIRAL COMPOUNDS HAPLOGEN GMBH (AT) 2022-11-10 US disclosed
US-11091428-B2 Antiviral compounds HAPLOGEN GMBH (AT) 2021-08-17 US disclosed
US-11091428-B2 Antiviral compounds HAPLOGEN GMBH (AT) 2021-08-17 US disclosed
US-20190225575-A1 ANTIVIRAL COMPOUNDS LUNIS CONSULTING GMBH (AT) 2019-07-25 US disclosed
US-20190225575-A1 ANTIVIRAL COMPOUNDS LUNIS CONSULTING GMBH (AT) 2019-07-25 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 (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-20190225575-A1 ANTIVIRAL COMPOUNDS PLA2G1B, PLA2G12A, PLA2G4C CXCR3 430/4885HTT 3380/4885PTGES 138/4885
US-20220356148-A1 ANTIVIRAL COMPOUNDS PLA2G12A, PLA2G1B, PLA2G4C CXCR3 637/4885HTT 3569/4885PTGES 149/4885
US-11091428-B2 Antiviral compounds PLA2G1B, PLA2G12A, PLA2G4C CXCR3 430/4885HTT 3380/4885PTGES 138/4885

“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.