SCHEMBL22407353

SCHEMBL22407353

COc1ccc2c(Oc3ccc(N[SH](=O)=O)cc3)cc(C)nc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.44
RAD52 P43351 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
KCNH2 Q12809 2/20 0.44
MEN1 O00255 1/20 0.42
PKM P14618 1/20 0.42
KMT2A Q03164 1/20 0.42
BRAF P15056 1/20 0.41
MAPK14 Q16539 1/20 0.41
ATM Q13315 1/20 0.41
SLC2A1 P11166 1/20 0.41
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 3/20 0.40
HPGD P15428 2/20 0.40
HSD17B10 Q99714 2/20 0.40
NQO2 P16083 1/20 0.40
STAT3 P40763 1/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TP53 P04637 1/20 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
SCHEMBL20775123 0.81 FGFR2 (0.57)
SCHEMBL20782821 0.81 CA1 (0.52) POLBRAD52NPSR1KCNH2MEN1
SCHEMBL24010120 0.76 NPSR1 (0.44) POLBRAD52NPSR1KCNH2KMT2A
SCHEMBL22407370 0.75 RAF1 (0.43)
SCHEMBL22407350 0.74 CSF1R (0.65)
SCHEMBL22407532 0.72 FGFR2 (0.46) IGF1R
SCHEMBL16742685 0.71 ALDH1A1 (0.52) POLBNPSR1KCNH2PKMATM
SCHEMBL12863755 0.71 NPSR1 (0.49) POLBRAD52NPSR1KCNH2MEN1
SCHEMBL9359493 0.71 PTPN11 (0.58) POLBRAD52KCNH2MEN1PKM
SCHEMBL22407551 0.71 FGFR2 (0.53)

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-20230183239-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE 1 (ENPP-1) INHIBITORS AND USES THEREOF ABBVIE INC (US) 2023-06-15 US disclosed
US-20200291024-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE 1 (ENPP-1) INHIBITORS AND USES THEREOF ABBVIE INC (US) 2020-09-17 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-20200291024-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE 1 (ENPP-1) INHIBITORS AND USES THEREOF ENPP1, ENPP3, STING1 POLB 392/4885RAD52 3271/4885NPSR1 3423/4885
US-20230183239-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE 1 (ENPP-1) INHIBITORS AND USES THEREOF ENPP1, ENPP3, STING1 POLB 392/4885RAD52 3271/4885NPSR1 3423/4885

“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.