SCHEMBL30197520

SCHEMBL30197520

CC(C)[S@@+]([O-])N[C@@H]1COCC12CCN(C(=O)OC(C)(C)C)CC2

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CCR2 P41597 1/20 0.38
EPHX2 P34913 1/20 0.37
GPR119 Q8TDV5 3/20 0.37
RECQL P46063 1/20 0.36
TSHR P16473 2/20 0.35
ALOX15 P16050 1/20 0.35
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
NAMPT P43490 5/20 0.34
EPHX1 P07099 1/20 0.34

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
SCHEMBL30197470 0.87 USP2 (0.41) USP2SMN1; SMN2CCR2EPHX2GPR119
SCHEMBL20337474 0.87 USP2 (0.41) USP2SMN1; SMN2CCR2EPHX2GPR119
SCHEMBL30833164 0.87 USP2 (0.41) USP2SMN1; SMN2CCR2EPHX2GPR119
SCHEMBL18392380 0.87 USP2 (0.41) USP2SMN1; SMN2CCR2EPHX2GPR119
SCHEMBL18328440 0.87 USP2 (0.41) USP2SMN1; SMN2CCR2EPHX2GPR119
SCHEMBL22798885 0.84 PTPN11 (0.30)
SCHEMBL29715769 0.79 USP2 (0.40) USP2SMN1; SMN2CCR2EPHX2GPR119
SCHEMBL22241134 0.78 NPC1 (0.38) USP2SMN1; SMN2CCR2EPHX2GPR119
SCHEMBL19736069 0.77 USP2 (0.43) USP2SMN1; SMN2EPHX2GPR119RECQL
SCHEMBL29715575 0.76 USP2 (0.42) USP2SMN1; SMN2EPHX2GPR119RECQL

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-3753941-B1 PYRIMIDINE-FUSED CYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF SHANGHAI BLUERAY BIOPHARMA CO LTD (CN) 2024-05-01 EP disclosed
CN-115448923-B Pyrimidine-fused ring compound, preparation method and application thereof 上海青煜医药科技有限公司 2024-03-22 CN disclosed
US-11498930-B2 Pyrimidine-fused cyclic compound, preparation method therefor and application thereof Blueray Therapeutics (Shanghai) Co., Ltd (CN) 2022-11-15 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-11498930-B2 Pyrimidine-fused cyclic compound, preparation method therefor and application thereof PTPN11, PPM1F, PTPRF USP2 3618/4885SMN1; SMN2 3594/4885CCR2 941/4885

“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.