SCHEMBL21836497

SCHEMBL21836497

CCC(C(=O)O)C1CCC(c2cccc(=O)n2C)CC1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.57
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
TRPV1 Q8NER1 2/20 0.33
PPARG P37231 1/20 0.32
PPARA Q07869 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
SCHEMBL21836577 0.86 IDO1 (0.54) IDO1
SCHEMBL21836467 0.80 IDO1 (0.55) IDO1KMT2ATDP1
SCHEMBL21836466 0.79 IDO1 (0.37) IDO1
SCHEMBL27401358 0.78 IDO1 (0.49) IDO1KMT2AMEN1TDP1
SCHEMBL1171605 0.78 SLC18A3 (0.47)
SCHEMBL4976355 0.78 SLC18A3 (0.47)
SCHEMBL600742 0.72 ESR2 (0.49)
SCHEMBL5967397 0.72
SCHEMBL6270743 0.72
SCHEMBL3900477 0.71 IDO1 (0.48) IDO1KMT2AMEN1

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-11066392-B2 Inhibitors of indoleamine 2,3-dioxygenase and methods of their use BRISTOL-MYERS SQUIBB COMPANY (US) 2021-07-20 US disclosed
US-20200095231-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF THEIR USE BRISTOL-MYERS SQUIBB COMPANY 2020-03-26 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-11066392-B2 Inhibitors of indoleamine 2,3-dioxygenase and methods of their use IDO1, IDO2, INMT IDO1 1/4885KMT2A 510/4885MEN1 2594/4885
US-20200095231-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF THEIR USE IDO1, IDO2, INMT IDO1 1/4885KMT2A 510/4885MEN1 2594/4885

“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.