SCHEMBL23084591

SCHEMBL23084591

CC(OP(=O)(O)OCc1ccccc1)C(C)(C)C

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.62
SRC P12931 1/20 0.46
CETP P11597 3/20 0.46
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
FOLH1 Q04609 1/20 0.44
PDPK1 O15530 1/20 0.39
MTOR P42345 1/20 0.39
AKR1C3 P42330 1/20 0.39
ALPG P10696 1/20 0.39
PTK2B Q14289 1/20 0.39
MAPK1 P28482 1/20 0.39
ELANE P08246 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
TRPA1 O75762 1/20 0.38
LAP3 P28838 1/20 0.38

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
SCHEMBL25657144 0.84 TSHR (0.66) TSHRSRCCETPKDM4EALDH1A1
SCHEMBL11538617 0.84 TSHR (0.70) TSHRSRCCETPKDM4EALDH1A1
SCHEMBL25657182 0.80 TSHR (0.64) TSHRSRCCETPKDM4EALDH1A1
SCHEMBL20701826 0.79 TSHR (0.79) TSHRSRCCETPKDM4EALDH1A1
SCHEMBL22066048 0.78 TSHR (0.66) TSHRSRCCETPKDM4EALDH1A1
SCHEMBL51316 0.78 TSHR (1.00) TSHRSRCCETPALDH1A1FOLH1
SCHEMBL27908642 0.78 TSHR (1.00) TSHRSRCCETPALDH1A1FOLH1
SCHEMBL25657175 0.78 TSHR (0.60) TSHRSRCCETPKDM4EALDH1A1
SCHEMBL17516308 0.78 TSHR (0.60) TSHRSRCCETPKDM4EALDH1A1
SCHEMBL23084624 0.78 TSHR (0.70) TSHRSRCCETPKDM4EALDH1A1

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-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 (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-20210070698-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF THEIR USE IDO1, IDO2, INMT TSHR 3245/4885SRC 1510/4885CETP 4465/4885

“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.