SCHEMBL21176286

SCHEMBL21176286

Cc1cc(C(=O)N(C)C(C)C(=O)C(=O)NCC2CCCCC2)no1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
S1PR3 Q99500 5/20 0.49
GAA P10253 3/20 0.49
ALDH1A1 P00352 3/20 0.42
S1PR1 P21453 4/20 0.42
KLK7 P49862 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TSHR P16473 1/20 0.38
XBP1 P17861 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
AR P10275 1/20 0.37
GFER P55789 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
SCHEMBL19974797 0.82 S1PR3 (0.48) S1PR3GAAALDH1A1S1PR1KLK7
SCHEMBL19975437 0.77 SMN1; SMN2 (0.47) GAAALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL21176225 0.74 SMN1; SMN2 (0.43) GAAALDH1A1SMN1; SMN2L3MBTL1TSHR
SCHEMBL19975418 0.73 SMN1; SMN2 (0.42) GAAALDH1A1SMN1; SMN2L3MBTL1TSHR
SCHEMBL19975008 0.73 EPHX1 (0.44) GAAALDH1A1SMN1; SMN2L3MBTL1TSHR
SCHEMBL19974762 0.72 SMN1; SMN2 (0.41) GAAALDH1A1SMN1; SMN2L3MBTL1TSHR
SCHEMBL19975201 0.70 EPHX1 (0.44) GAAALDH1A1SMN1; SMN2L3MBTL1TSHR
SCHEMBL19975178 0.70 PTGIR (0.43) ALDH1A1SMN1; SMN2TSHR
SCHEMBL19974992 0.70 SMN1; SMN2 (0.40) GAAALDH1A1SMN1; SMN2L3MBTL1TSHR
SCHEMBL13631421 0.70 HIF1A (0.60) GAAALDH1A1TSHRAR

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 S1PR3 1257/4885GAA 75/4885ALDH1A1 2271/4885
US-20220356148-A1 ANTIVIRAL COMPOUNDS PLA2G12A, PLA2G1B, PLA2G4C S1PR3 1437/4885GAA 107/4885ALDH1A1 2673/4885
US-11091428-B2 Antiviral compounds PLA2G1B, PLA2G12A, PLA2G4C S1PR3 1257/4885GAA 75/4885ALDH1A1 2271/4885

“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.