SCHEMBL20782868

SCHEMBL20782868

COc1ccc2c(Oc3ccc(NS(N)(=O)=O)cc3)c(C)cnc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.51
CA2 P00918 2/20 0.51
CSF1R P07333 1/20 0.42
RAF1 P04049 1/20 0.41
MAP2K1 Q02750 1/20 0.41
ENPP3 O14638 1/20 0.41
ENPP1 P22413 1/20 0.41
LMNA P02545 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TSHR P16473 2/20 0.40
HTT P42858 1/20 0.40
ALDH1A1 P00352 2/20 0.39
PGR P06401 3/20 0.39
POLB P06746 2/20 0.38
ALPL P05186 1/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
MEN1 O00255 1/20 0.37
ALOX12 P18054 1/20 0.37

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
SCHEMBL25684089 0.88 MAP2K1 (0.41) CSF1RRAF1MAP2K1LMNASMN1; SMN2
SCHEMBL20782621 0.85 CA1 (0.47) CA1CA2CSF1RRAF1MAP2K1
SCHEMBL20782556 0.85 CA2 (0.43) CA1CA2LMNATSHRHTT
SCHEMBL22407370 0.81 RAF1 (0.43) CSF1RRAF1MAP2K1TLR8GAK
SCHEMBL20782442 0.80 CSF1R (0.64) CA1CA2CSF1REGFR
SCHEMBL20775124 0.79 FGFR2 (0.55) CA1CA2ENPP3ENPP1
SCHEMBL24010243 0.79 PTGS1 (0.44) RAF1MAP2K1LMNASMN1; SMN2TSHR
SCHEMBL20782821 0.76 CA1 (0.52) CA1CA2LMNASMN1; SMN2TSHR
SCHEMBL20782728 0.75 AXL (0.52) CA1CA2CSF1RENPP3ENPP1
SCHEMBL20782826 0.74 ENPP3 (0.71) CA1CA2ENPP3ENPP1LMNA

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 5 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-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
US-20200291024-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE 1 (ENPP-1) INHIBITORS AND USES THEREOF ABBVIE INC (US) 2020-09-17 US disclosed
WO-2019046778-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE 1 (ENPP-1) INHIBITORS AND USES THEREOF MAVUPHARMA, INC. (US) 2019-03-07 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 (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 CA1 4595/4885CA2 4105/4885CSF1R 742/4885
US-20230183239-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE 1 (ENPP-1) INHIBITORS AND USES THEREOF ENPP1, ENPP3, STING1 CA1 4595/4885CA2 4105/4885CSF1R 742/4885

“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.