SCHEMBL25978729

SCHEMBL25978729

CCOC(=O)c1cc2c(nc(CO)n2C[C@@H]2CCO2)s1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
HSD17B10 Q99714 5/20 0.39
HPGD P15428 4/20 0.39
HTT P42858 2/20 0.39
MAPK1 P28482 2/20 0.39
FEN1 P39748 1/20 0.39
CASP1 P29466 3/20 0.37
CASP7 P55210 3/20 0.37
GAA P10253 7/20 0.36
ALDH1A1 P00352 7/20 0.36
KDM4E B2RXH2 5/20 0.36
GLA P06280 2/20 0.36
TP53 P04637 2/20 0.36
MAPT P10636 3/20 0.35
ALOX15 P16050 1/20 0.35
ATM Q13315 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL30209316 0.91 FEN1 (0.39) TSHRSMN1; SMN2HSD17B10HPGDHTT
SCHEMBL25789106 0.91 FEN1 (0.39) TSHRSMN1; SMN2HSD17B10HPGDHTT
SCHEMBL30209253 0.89 FEN1 (0.38) TSHRSMN1; SMN2HSD17B10HPGDHTT
SCHEMBL24186662 0.83 ALDH1A1 (0.34) TSHRSMN1; SMN2HSD17B10HPGDHTT
SCHEMBL25978721 0.82 KDM4E (0.36) TSHRSMN1; SMN2HSD17B10HPGDHTT
SCHEMBL24574867 0.80 ALDH1A1 (0.34) TSHRHSD17B10HPGDMAPK1CASP1
SCHEMBL24186664 0.80 ALDH1A1 (0.34) TSHRHSD17B10HPGDMAPK1CASP1
SCHEMBL24574873 0.80 ALDH1A1 (0.34) TSHRHSD17B10HPGDMAPK1CASP1
SCHEMBL24574883 0.80 ALDH1A1 (0.34) TSHRHSD17B10HPGDMAPK1CASP1
SCHEMBL25290986 0.79 PTGER4 (0.38) TSHRHSD17B10HPGDHTTMAPK1

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
EP-4393914-A1 IMIDAZOCYCLIC COMPOUND AND APPLICATION THEREOF Dongbao Purple Star (Hangzhou) Biopharmaceutical Co., Ltd. (CN) 2024-07-03 EP disclosed
US-20230234968-A1 METHYL-SUBSTITUTED BENZOBISOXAZOLE COMPOUND AND USE THEREOF TONGHUA DONGBAO PHARMACEUTICAL CO., LTD. (CN) 2023-07-27 US disclosed
US-20230234968-A1 METHYL-SUBSTITUTED BENZOBISOXAZOLE COMPOUND AND USE THEREOF TONGHUA DONGBAO PHARMACEUTICAL CO., LTD. (CN) 2023-07-27 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-20230234968-A1 METHYL-SUBSTITUTED BENZOBISOXAZOLE COMPOUND AND USE THEREOF CYP11B2, CYP11B1, TPMT TSHR 3651/4885SMN1; SMN2 2054/4885HSD17B10 589/4885

“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.