SCHEMBL24258076

SCHEMBL24258076

CCC(c1ccccc1)c1nc(-c2ccc(Cl)nc2)no1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 3/20 0.64
TSHR P16473 3/20 0.60
NPSR1 Q6W5P4 2/20 0.46
ALDH1A1 P00352 2/20 0.46
MAPK1 P28482 1/20 0.43
CASP3 P42574 1/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
MAPT P10636 2/20 0.43
HDAC1 Q13547 4/20 0.42
HDAC6 Q9UBN7 4/20 0.42
HDAC4 P56524 3/20 0.42
TDP1 Q9NUW8 1/20 0.42
PTPN1 P18031 1/20 0.42
LMNA P02545 1/20 0.40
NR2F2 P24468 1/20 0.40
STAT3 P40763 1/20 0.40
HTT P42858 1/20 0.40
S1PR3 Q99500 3/20 0.40

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
SCHEMBL26004965 0.86 S1PR1 (0.66) S1PR1TSHRNPSR1ALDH1A1MAPK1
SCHEMBL13416530 0.79 S1PR1 (1.00) S1PR1TSHRNPSR1ALDH1A1SMN1; SMN2
SCHEMBL12171385 0.77 S1PR1 (0.71) S1PR1TSHRNPSR1SMN1; SMN2TDP1
SCHEMBL29877512 0.76 CASP3 (0.51) S1PR1NPSR1ALDH1A1CASP3SMN1; SMN2
SCHEMBL3742574 0.75 S1PR1 (0.57) S1PR1TSHRSMN1; SMN2NPC1RAB9A
SCHEMBL24258079 0.74 S1PR1 (0.63) S1PR1TSHRNPSR1ALDH1A1MAPK1
SCHEMBL61041 0.72 S1PR1 (0.63) S1PR1TSHRNPC1RAB9AHDAC6
SCHEMBL24258043 0.71 S1PR1 (0.59) S1PR1TSHRALDH1A1MAPK1CASP3
SCHEMBL25336449 0.70 CASP3 (0.55) TSHRCASP3SMN1; SMN2NPC1RAB9A
SCHEMBL8820934 0.68 S1PR1 (0.70) S1PR1TSHRALDH1A1SMN1; SMN2NPC1

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 4539/4885NPSR1 4068/4885

“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.