SCHEMBL24258079

SCHEMBL24258079

CCC(c1ccccc1)c1nc(-c2ccc(=O)[nH]c2)no1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.63
TSHR P16473 4/20 0.55
PTPN1 P18031 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
LMNA P02545 2/20 0.40
ALDH1A1 P00352 2/20 0.40
NR2F2 P24468 1/20 0.40
STAT3 P40763 1/20 0.40
HTT P42858 1/20 0.40
CPT2 P23786 1/20 0.39
CPT1A P50416 1/20 0.39
PPARD Q03181 2/20 0.39
PPARA Q07869 2/20 0.39
EPHX2 P34913 1/20 0.38
MAPK1 P28482 1/20 0.38
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 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
SCHEMBL24258052 0.85 S1PR1 (0.43) S1PR1TSHRSMN1; SMN2NPSR1TDP1
SCHEMBL12171385 0.79 S1PR1 (0.71) S1PR1TSHRPTPN1SMN1; SMN2NPSR1
SCHEMBL13416530 0.78 S1PR1 (1.00) S1PR1TSHRPTPN1SMN1; SMN2NPSR1
SCHEMBL24258056 0.77 HCAR2 (0.41) S1PR1PTPN1TDP1ALDH1A1HTT
SCHEMBL61041 0.76 S1PR1 (0.63) S1PR1TSHRPTPN1LMNAHDAC6
SCHEMBL26004965 0.75 S1PR1 (0.66) S1PR1TSHRPTPN1SMN1; SMN2NPSR1
SCHEMBL24258076 0.74 S1PR1 (0.64) S1PR1TSHRPTPN1SMN1; SMN2NPSR1
SCHEMBL24258084 0.72 S1PR1 (0.58) S1PR1TSHRSMN1; SMN2TDP1ALDH1A1
SCHEMBL8820934 0.70 S1PR1 (0.70) S1PR1TSHRPTPN1SMN1; SMN2LMNA
SCHEMBL3742574 0.69 S1PR1 (0.57) S1PR1TSHRSMN1; SMN2HTTMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230265082-A1 SUBSTITUTED 1,2,4-OXADIAZOLES AS SMALL MOLECULE INHIBITORS OF UBIQUITIN-SPECIFIC PROTEASE 28 DANA-FARBER CANCER INSTITUTE, INC. 2023-08-24 US disclosed
US-20230265082-A1 SUBSTITUTED 1,2,4-OXADIAZOLES AS SMALL MOLECULE INHIBITORS OF UBIQUITIN-SPECIFIC PROTEASE 28 DANA-FARBER CANCER INSTITUTE, INC. 2023-08-24 US disclosed
WO-2022035805-A1 SUBSTITUTED 1,2,4-OXADIAZOLES AS SMALL MOLECULE INHIBITORS OF UBIQUITIN-SPECIFIC PROTEASE 28 DANA-FARBER CANCER INSTITUTE, INC. (US) 2022-02-17 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 (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-20230265082-A1 SUBSTITUTED 1,2,4-OXADIAZOLES AS SMALL MOLECULE INHIBITORS OF UBIQUITIN-SPECIFIC PROTEASE 28 USP28, USP1, USP18 S1PR1 4154/4885TSHR 4539/4885PTPN1 610/4885

“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.