SCHEMBL21783922

SCHEMBL21783922

CC/C(=C\C(=O)O)c1ccc([C@H](OC)C(F)(F)F)c(N)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 2/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ USP2 O75604 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ CREBBP Q92793 1/20 0.33
▸ NR4A1 P22736 1/20 0.32
▸ NR4A2 P43354 1/20 0.32
▸ NR4A3 Q92570 1/20 0.32
▸ GRM1 Q13255 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ ALDH1A1 P00352 3/20 0.31
▸ GAA P10253 3/20 0.31
▸ HTT P42858 2/20 0.31
▸ KDM4E B2RXH2 2/20 0.31
▸ MAPT P10636 2/20 0.31
▸ HPGD P15428 2/20 0.31

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
SCHEMBL21783897 0.77 NPC1 (0.39) HSD17B10NPC1USP2RAB9ASMN1; SMN2
SCHEMBL16566602 0.74 KDM4E (0.38) HSD17B10NPC1USP2RAB9ASMN1; SMN2
SCHEMBL21783881 0.72 NPC1 (0.33) HSD17B10NPC1USP2RAB9ASMN1; SMN2
SCHEMBL16566770 0.72 KDM4E (0.47) HSD17B10NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL21783872 0.71 GAA (0.42) SMN1; SMN2MEN1CYP1A2KMT2AALDH1A1
SCHEMBL21783923 0.71 GAA (0.42) SMN1; SMN2MEN1CYP1A2KMT2AALDH1A1
SCHEMBL21773897 0.70 F2 (0.35) RAB9AALDH1A1GAAHTTMAPT
SCHEMBL21783875 0.69 GAA (0.33) GAA
SCHEMBL21783880 0.69 PRSS1 (0.32) PDE4APDE4BPDE4CPDE4D
SCHEMBL21783926 0.69 PRSS1 (0.32) PDE4APDE4BPDE4CPDE4D

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-11253525-B2 Inhibitors of indoleamine 2,3-dioxygenase and methods of their use BRISTOL-MYERS SQUIBB COMPANY (US) 2022-02-22 — — US disclosed
US-20200069695-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF THEIR USE BRISTOL MYERS SQUIBB CO (US) 2020-03-05 — — 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-11253525-B2 Inhibitors of indoleamine 2,3-dioxygenase and methods of their use IDO1, IDO2, INMT HSD17B10 1463/4885NPC1 2549/4885USP2 1083/4885
US-20200069695-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF THEIR USE IDO1, IDO2, INMT HSD17B10 1463/4885NPC1 2549/4885USP2 1083/4885

“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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