SCHEMBL25564889

SCHEMBL25564889

COc1ccc(C(=O)O)cc1OP(=O)(Cc1ccccc1)OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 2/20 0.53
HDAC1 Q13547 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA4 P22748 1/20 0.52
CA6 P23280 1/20 0.52
CA7 P43166 1/20 0.52
TPMT P51580 1/20 0.52
CA9 Q16790 1/20 0.52
CA14 Q9ULX7 1/20 0.52
MRGPRX4 Q96LA9 3/20 0.50
RXRA P19793 1/20 0.50
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
HPGD P15428 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
TTR P02766 1/20 0.48

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
SCHEMBL22905946 0.87 CA12 (0.58) SMPD1HDAC1HDAC8HDAC6CA12
SCHEMBL20472387 0.82 CA12 (0.58) SMPD1HDAC1HDAC8HDAC6CA12
SCHEMBL25564641 0.80 CA12 (0.55) SMPD1HDAC1HDAC8HDAC6CA12
SCHEMBL29375753 0.79 SMPD1 (0.75) SMPD1HDAC1HDAC8HDAC6CA12
SCHEMBL1029034 0.79 SMPD1 (0.75) SMPD1HDAC1HDAC8HDAC6CA12
Hydrochloric Acid SCHEMBL6586504 0.78 SMPD1 (0.73) SMPD1HDAC1HDAC8HDAC6CA12
SCHEMBL11271923 0.78 SMPD1 (0.73) SMPD1HDAC1HDAC8HDAC6CA12
SCHEMBL30460516 0.78 SMPD1 (0.58) SMPD1HDAC1HDAC8HDAC6NPC1
SCHEMBL242563 0.76 MRGPRX4 (0.77) SMPD1HDAC1HDAC8HDAC6CA12
SCHEMBL27496908 0.76 KMT2A (0.41) SMPD1HDAC1HDAC8HDAC6NPC1

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 SMPD1 1752/4885HDAC1 1542/4885HDAC8 952/4885

“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.