SCHEMBL22203023

SCHEMBL22203023

CCOC(O)C1=C(O)CCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR2 Q92731 1/20 0.45
▸ ADORA1 P30542 2/20 0.43
▸ NR1H2 P55055 2/20 0.41
▸ USP2 O75604 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ MAPK1 P28482 1/20 0.36
▸ MAPT P10636 3/20 0.35
▸ PRMT5 O14744 3/20 0.35
▸ WDR77 Q9BQA1 3/20 0.35
▸ EED O75530 1/20 0.35
▸ RBBP4 Q09028 1/20 0.35
▸ SUZ12 Q15022 1/20 0.35
▸ EZH2 Q15910 1/20 0.35
▸ AEBP2 Q6ZN18 1/20 0.35
▸ DPP4 P27487 1/20 0.34
▸ PDK4 Q16654 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ DDB1 Q16531 1/20 0.34

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
SCHEMBL20998225 0.75 ADORA1 (0.55) ESR2ADORA1NR1H2USP2SMN1; SMN2
SCHEMBL25710521 0.74 ADORA1 (0.40) ESR2ADORA1NR1H2SMN1; SMN2MAPK1
SCHEMBL21726131 0.73 ADORA1 (0.64) ADORA1NR1H2MAPTKDM4E
SCHEMBL21005765 0.73 ADORA1 (0.56) ESR2ADORA1NR1H2USP2SMN1; SMN2
SCHEMBL17611778 0.73 ADORA1 (0.47) ESR2ADORA1NR1H2USP2SMN1; SMN2
SCHEMBL3121028 0.72 NR1H2 (0.50) ESR2ADORA1NR1H2USP2SMN1; SMN2
SCHEMBL2081926 0.71 ADORA1 (0.51) ESR2ADORA1NR1H2USP2SMN1; SMN2
SCHEMBL25020099 0.71 NR1H2 (0.51) ESR2ADORA1NR1H2USP2SMN1; SMN2
SCHEMBL19073529 0.70 MAPT (0.44) MAPK1MAPTPRMT5WDR77EED
SCHEMBL22668687 0.70 NR1H2 (0.38) ESR2ADORA1NR1H2USP2SMN1; SMN2

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-10995085-B2 Substituted biaryl compounds as indoleamine 2,3-dioxygenase (IDO) inhibitors MERCK SHARP & DOHME CORP. (US) 2021-05-04 — — US disclosed
US-20200216425-A1 NOVEL SUBSTITUTED BIARYL COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS MERCK SHARP & DOHME CORP. (US) 2020-07-09 — — 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-20200216425-A1 NOVEL SUBSTITUTED BIARYL COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS IDO1, IDO2, KYNU ESR2 3763/4885ADORA1 1187/4885NR1H2 932/4885
US-10995085-B2 Substituted biaryl compounds as indoleamine 2,3-dioxygenase (IDO) inhibitors IDO1, IDO2, KYNU ESR2 3667/4885ADORA1 1383/4885NR1H2 790/4885

“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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