SCHEMBL20199014

SCHEMBL20199014

CCS(=N)(=O)NCCCNc1nonc1/C(=N/O)Nc1ccc(F)c(Br)c1

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 20/20 0.55
TDO2 P48775 2/20 0.49
IDO2 Q6ZQW0 2/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49

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
SCHEMBL20199018 0.95 IDO1 (0.57) IDO1TDO2IDO2CYP3A4CYP2C9
SCHEMBL21538711 0.93 IDO1 (0.53) IDO1TDO2IDO2CYP3A4CYP2C9
SCHEMBL21538762 0.92 IDO1 (0.54) IDO1TDO2IDO2CYP3A4CYP2C9
SCHEMBL20198878 0.92 IDO1 (0.58) IDO1TDO2IDO2CYP3A4CYP2C9
SCHEMBL144214 0.90 IDO1 (0.63) IDO1TDO2IDO2CYP3A4CYP2C9
SCHEMBL19465702 0.90 IDO1 (0.63) IDO1TDO2IDO2CYP3A4CYP2C9
SCHEMBL144213 0.90 IDO1 (0.63) IDO1TDO2IDO2CYP3A4CYP2C9
SCHEMBL22187967 0.90 IDO1 (0.54) IDO1TDO2IDO2CYP3A4CYP2C9
SCHEMBL20198892 0.90 IDO1 (0.49) IDO1TDO2IDO2CYP3A4CYP2C9
SCHEMBL20198886 0.89 IDO1 (0.50) IDO1TDO2IDO2CYP3A4CYP2C9

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11370766-B2 Sulfonyl amidine as indoleamine-2,3-dioxygenase inhibitor, and preparation method therefor and use thereof SHANGHAI LONGWOOD BIOPHARMACEUTICALS CO., LTD. (CN) 2022-06-28 US disclosed
US-11168078-B2 Sulfoximine, sulfonimidamide, sulfondiimine and diimidosulfonamide compounds as inhibitors of indoleamine 2,3-dioxygenase SHANGHAI FOCHON PHARMACEUTICAL CO., LTD. (CN) 2021-11-09 US disclosed
US-11168078-B2 Sulfoximine, sulfonimidamide, sulfondiimine and diimidosulfonamide compounds as inhibitors of indoleamine 2,3-dioxygenase SHANGHAI FOCHON PHARMACEUTICAL CO., LTD. (CN) 2021-11-09 US disclosed
US-20210070742-A1 SULFOXIMINE, SULFONIMIDAMIDE, SULFONDIIMINE AND DIIMIDOSULFONAMIDE COMPOUNDS AS INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE FOCHON BIOSCIENCES, LTD. (CN) 2021-03-11 US disclosed
US-20210070742-A1 SULFOXIMINE, SULFONIMIDAMIDE, SULFONDIIMINE AND DIIMIDOSULFONAMIDE COMPOUNDS AS INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE FOCHON BIOSCIENCES, LTD. (CN) 2021-03-11 US disclosed
US-20200207728-A1 SULFONYL AMIDINE AS INDOLEAMINE-2,3-DIOXYGENASE INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF SHANGHAI LONGWOOD BIOPHARMACEUTICALS CO., LTD. (CN) 2020-07-02 US disclosed
WO-2018095432-A1 SULFOXIMINE, SULFONIMIDAMIDE, SULFONDIIMINE AND DIIMIDOSULFONAMIDE COMPOUNDS AS INHIBITORS OF INDOLEAMINE 2, 3-DIOXYGENASE SHANGHAI FOCHON PHARMACEUTICAL CO., LTD. (CN) 2018-05-31 WO 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 (4 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-11370766-B2 Sulfonyl amidine as indoleamine-2,3-dioxygenase inhibitor, and preparation method therefor and use thereof IDO1, IDO2, INMT IDO1 1/4885TDO2 26/4885IDO2 2/4885
US-20210070742-A1 SULFOXIMINE, SULFONIMIDAMIDE, SULFONDIIMINE AND DIIMIDOSULFONAMIDE COMPOUNDS AS INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE IDO1, IDO2, TST IDO1 1/4885TDO2 5/4885IDO2 2/4885
US-20200207728-A1 SULFONYL AMIDINE AS INDOLEAMINE-2,3-DIOXYGENASE INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF IDO1, IDO2, INMT IDO1 1/4885TDO2 26/4885IDO2 2/4885
US-11168078-B2 Sulfoximine, sulfonimidamide, sulfondiimine and diimidosulfonamide compounds as inhibitors of indoleamine 2,3-dioxygenase IDO1, IDO2, TST IDO1 1/4885TDO2 5/4885IDO2 2/4885

“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.