SCHEMBL24209798

SCHEMBL24209798

O=C(CSc1nc2ccsc2c(=O)n1-c1ccc(C(=O)O)cc1)Nc1nccs1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.65
▸ PIK3C2A O00443 1/20 0.61
▸ RXFP1 Q9HBX9 3/20 0.56
▸ USP2 O75604 1/20 0.56
▸ TSHR P16473 4/20 0.56
▸ KMT2A Q03164 3/20 0.56
▸ ALOX15 P16050 3/20 0.56
▸ MEN1 O00255 2/20 0.56
▸ HTT P42858 2/20 0.56
▸ KDM4E B2RXH2 1/20 0.56
▸ GAA P10253 1/20 0.55
▸ L3MBTL1 Q9Y468 1/20 0.55
▸ ALDH1A1 P00352 3/20 0.54
▸ LMNA P02545 2/20 0.54
▸ HPGD P15428 1/20 0.54
▸ HSD17B10 Q99714 1/20 0.53
▸ TP53 P04637 1/20 0.53
▸ GPR35 Q9HC97 2/20 0.53
▸ POLB P06746 1/20 0.52
▸ GPR55 Q9Y2T6 1/20 0.52

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
SCHEMBL24209796 0.80 MAPT (0.67) SMN1; SMN2RXFP1USP2KMT2AMEN1
SCHEMBL24209799 0.79 RXFP1 (0.82) SMN1; SMN2RXFP1USP2TSHRKMT2A
SCHEMBL30003329 0.77 PIK3C2A (0.80) PIK3C2ATSHRKMT2AALOX15MEN1
SCHEMBL21586266 0.77 PIK3C2A (0.80) PIK3C2ATSHRKMT2AALOX15MEN1
SCHEMBL30003012 0.76 PIK3C2A (1.00) PIK3C2ATSHRKMT2AMEN1KDM4E
SCHEMBL21586309 0.76 PIK3C2A (1.00) PIK3C2ATSHRKMT2AMEN1KDM4E
SCHEMBL24209702 0.76 MEN1 (0.63) SMN1; SMN2USP2TSHRKMT2AMEN1
SCHEMBL21589486 0.76 PIK3C2A (0.77) SMN1; SMN2PIK3C2ATSHRKMT2AALOX15
SCHEMBL5425979 0.74 TP53 (0.65) SMN1; SMN2RXFP1USP2TSHRKMT2A
SCHEMBL21589427 0.73 PIK3C2A (0.80) PIK3C2ATSHRKMT2AALOX15MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220016080-A1 COMPOUNDS THAT SELECTIVELY AND EFFECTIVELY INHIBIT HAKAI-MEDIATED UBIQUITINATION, AS ANTI-CANCER DRUGS FUND PROFESOR NOVOA SANTOS (ES) 2022-01-20 — — 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 (1 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-20220016080-A1 COMPOUNDS THAT SELECTIVELY AND EFFECTIVELY INHIBIT HAKAI-MEDIATED UBIQUITINATION, AS ANTI-CANCER DRUGS CHUK, HIPK3, HIPK1 SMN1; SMN2 4699/4885PIK3C2A 1898/4885RXFP1 4138/4885

“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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