SCHEMBL24032001

SCHEMBL24032001

C[C@H](O)CC1(CCO)CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TSHR P16473 2/20 0.40
ALOX15 P16050 1/20 0.38
CYP4F2 P78329 1/20 0.38
CYP4A11 Q02928 1/20 0.38
NR1H2 P55055 1/20 0.37
ATM Q13315 2/20 0.36
HPGD P15428 1/20 0.36
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36
EPHX2 P34913 1/20 0.36
HTT P42858 2/20 0.36
GPR119 Q8TDV5 2/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
RAB9A P51151 1/20 0.35
L3MBTL1 Q9Y468 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
SCHEMBL21918068 0.89 USP2 (0.43) USP2SMN1; SMN2TSHRALOX15NR1H2
SCHEMBL2204005 0.87 USP2 (0.49) USP2SMN1; SMN2TSHRALOX15CYP4F2
SCHEMBL3164042 0.84 USP2 (0.46) USP2SMN1; SMN2TSHRALOX15CYP4F2
SCHEMBL485413 0.82 HPGD (0.44) USP2SMN1; SMN2CYP4F2CYP4A11NR1H2
SCHEMBL5765931 0.81 USP2 (0.43) USP2SMN1; SMN2TSHRALOX15CYP4F2
SCHEMBL21851983 0.79 USP2 (0.44) USP2SMN1; SMN2TSHRALOX15NR1H2
SCHEMBL16925368 0.78 TSHR (0.42) USP2SMN1; SMN2TSHRALOX15CYP4F2
SCHEMBL345212 0.78 USP2 (0.41) USP2SMN1; SMN2TSHRALOX15ATM
SCHEMBL1880398 0.78 USP2 (0.51) USP2SMN1; SMN2TSHRALOX15CYP4F2
SCHEMBL24192631 0.77 USP2 (0.40) USP2SMN1; SMN2CYP4F2CYP4A11NR1H2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11873307-B2 Manufacture of compounds and compositions for inhibiting the activity of SHP2 NOVARTIS AG (CH) 2024-01-16 US disclosed
US-20210355134-A1 MANUFACTURE OF COMPOUNDS AND COMPOSITIONS FOR INHIBITING THE ACTIVITY OF SHP2 NOVARTIS AG (CH) 2021-11-18 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 (2 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-20210355134-A1 MANUFACTURE OF COMPOUNDS AND COMPOSITIONS FOR INHIBITING THE ACTIVITY OF SHP2 PTPN5, PTPN7, PTPN1 USP2 2274/4885SMN1; SMN2 3717/4885TSHR 3129/4885
US-11873307-B2 Manufacture of compounds and compositions for inhibiting the activity of SHP2 PTPN5, PTPN7, PTPN1 USP2 2274/4885SMN1; SMN2 3717/4885TSHR 3129/4885

“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.