SCHEMBL23066917

SCHEMBL23066917

CC(C)(C)[Si](C)(C)OCC(OP(=O)(O)O)C(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ LAP3 P28838 5/20 0.39
▸ PIN1 Q13526 4/20 0.37
▸ ANPEP P15144 2/20 0.37
▸ ACP3 P15309 1/20 0.36
▸ BTN3A1 O00481 3/20 0.35
▸ POLB P06746 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ TRPA1 O75762 1/20 0.33
▸ HMGCR P04035 1/20 0.32

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
SCHEMBL23066886 0.76 LAP3 (0.46) LAP3PIN1ANPEPACP3TSHR
SCHEMBL3428434 0.75 ADRB2 (0.40) POLBTRPA1
SCHEMBL3428431 0.75 ADRB2 (0.40) POLBTRPA1
SCHEMBL4698511 0.74 CYP1A2 (0.54) —
SCHEMBL31480850 0.72 BTN3A1 (0.39) BTN3A1TSHRHMGCR
SCHEMBL8917840 0.72 TRPA1 (0.41) MAPTTRPA1
SCHEMBL5788640 0.72 EPHX1 (0.50) ANPEP
SCHEMBL7663381 0.71 TAAR1 (0.37) BTN3A1TSHR
SCHEMBL8710569 0.71 FOLH1 (0.43) ANPEPPOLB
SCHEMBL6349630 0.70 CSNK1E (0.47) LAP3ANPEPTRPA1

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-11447449-B2 Inhibitors of indoleamine 2,3-dioxygenase and methods of their use BRISTOL-MYERS SQUIBB COMPANY (US) 2022-09-20 — — US disclosed
US-20210070698-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF THEIR USE BRISTOL-MYERS SQUIBB COMPANY 2021-03-11 — — 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-20210070698-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF THEIR USE IDO1, IDO2, INMT LAP3 799/4885PIN1 130/4885ANPEP 745/4885
US-11447449-B2 Inhibitors of indoleamine 2,3-dioxygenase and methods of their use IDO1, IDO2, INMT LAP3 799/4885PIN1 130/4885ANPEP 745/4885

“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.

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