SCHEMBL6259248

SCHEMBL6259248

O=C(O)c1ccc(-c2ncco2)s1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.53
ALDH1A1 P00352 4/20 0.49
GAA P10253 2/20 0.49
MKNK1 Q9BUB5 1/20 0.47
MKNK2 Q9HBH9 1/20 0.47
POLB P06746 2/20 0.45
RAB9A P51151 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
RPS6KB2 Q9UBS0 1/20 0.42
HPGD P15428 3/20 0.41
NPC1 O15118 1/20 0.41
GLA P06280 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NR4A2 P43354 1/20 0.41
HPGDS O60760 1/20 0.41
TDP1 Q9NUW8 1/20 0.39
DAO P14920 3/20 0.39

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
SCHEMBL593023 0.73 MEN1 (0.65) KDM4EALDH1A1GAAMKNK1MKNK2
SCHEMBL3462241 0.72 USP9X (0.38) KDM4EALDH1A1POLBKMT2AHPGDS
SCHEMBL27735339 0.72 CYP2E1 (0.42) HPGDHPGDS
SCHEMBL5030066 0.72 LTA4H (0.39) KDM4EALDH1A1POLBRAB9AMEN1
SCHEMBL5903826 0.72 KDM4E (0.69) KDM4EALDH1A1GAAMKNK1MKNK2
SCHEMBL2615881 0.71 MEN1 (0.63) KDM4EALDH1A1GAAMKNK1MKNK2
SCHEMBL2615879 0.71 MEN1 (0.63) KDM4EALDH1A1GAAMKNK1MKNK2
Hydrochloric Acid SCHEMBL9447525 0.71 MEN1 (0.63) KDM4EALDH1A1GAAMKNK1MKNK2
SCHEMBL1301094 0.70 KDM4E (0.61) KDM4EALDH1A1GAAMKNK1MKNK2
Hydrochloric Acid SCHEMBL9447603 0.69 MEN1 (0.61) KDM4EALDH1A1GAAMKNK1MKNK2

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-20050209284-A1 Tec kinase inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-09-22 US disclosed
WO-2005079791-A1 THIOPHENE -2- CARBOXYLIC ACID - (1H - BENZIMIDAZOL - 2 YL) - AMIDE DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF THE TEC KINASE ITK (INTERLEUKIN -2- INDUCIBLE T CELL KINASE) FOR THE TREATMENT OF INFLAMMATION, IMMUNOLOGICAL AND ALLERGIC DISORDERS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-09-01 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 (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-20050209284-A1 Tec kinase inhibitors TEC, ITK, TXK KDM4E 2880/4885ALDH1A1 3145/4885GAA 2590/4885

“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.