SCHEMBL25564641

SCHEMBL25564641

COc1cc(C(=O)O)ccc1OP(=O)(O)OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.55
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
CA4 P22748 1/20 0.55
CA6 P23280 1/20 0.55
CA7 P43166 1/20 0.55
TPMT P51580 1/20 0.55
CA9 Q16790 1/20 0.55
CA14 Q9ULX7 1/20 0.55
TTR P02766 1/20 0.53
MRGPRX4 Q96LA9 3/20 0.53
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
HPGD P15428 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
TSHR P16473 3/20 0.53
SRC P12931 1/20 0.52
SMPD1 P17405 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC8 Q9BY41 1/20 0.52

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
SCHEMBL25564639 0.90 SMPD1 (0.53) NPC1RAB9AHPGDSMN1; SMN2TSHR
SCHEMBL29786425 0.90 SMPD1 (0.53) NPC1RAB9AHPGDSMN1; SMN2TSHR
SCHEMBL20472387 0.90 CA12 (0.58) CA12CA1CA2CA4CA6
SCHEMBL22905946 0.84 CA12 (0.58) CA12CA1CA2CA4CA6
SCHEMBL242563 0.81 MRGPRX4 (0.77) CA12CA1CA2CA4CA6
SCHEMBL25564889 0.80 SMPD1 (0.53) CA12CA1CA2CA4CA6
SCHEMBL11277266 0.80 MRGPRX4 (0.75) CA12CA1CA2CA4CA6
SCHEMBL20472564 0.80 SMPD1 (0.55) NPC1RAB9AHPGDSMN1; SMN2SMPD1
SCHEMBL28722228 0.79 CA12 (0.71) CA12CA1CA2CA4CA6
SCHEMBL5583210 0.79 CA12 (0.61) CA12CA1CA2CA4CA6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230167082-A1 PRODRUGS IN THE MODULATION OF INTERLEUKIN BRISTOL-MYERS SQUIBB COMPANY 2023-06-01 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-20230167082-A1 PRODRUGS IN THE MODULATION OF INTERLEUKIN TYK2, IL2, IRAK2 CA12 1810/4885CA1 4273/4885CA2 3593/4885

“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.