SCHEMBL6263121

SCHEMBL6263121

COC(=O)c1ccc(-c2csc(NC(=O)OC(C)(C)C)n2)s1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PI4KB Q9UBF8 1/20 0.48
▸ HTT P42858 3/20 0.46
▸ KDM4E B2RXH2 5/20 0.46
▸ LMNA P02545 5/20 0.46
▸ ABL1 P00519 2/20 0.46
▸ POLB P06746 1/20 0.46
▸ HDAC3 O15379 3/20 0.43
▸ HDAC1 Q13547 3/20 0.43
▸ HDAC2 Q92769 3/20 0.43
▸ HDAC10 Q969S8 3/20 0.43
▸ HDAC8 Q9BY41 2/20 0.43
▸ MEN1 O00255 6/20 0.43
▸ KMT2A Q03164 6/20 0.43
▸ MAPT P10636 5/20 0.43
▸ ALDH1A1 P00352 4/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ NPC1 O15118 4/20 0.42

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
SCHEMBL6261320 0.92 PI4KB (0.49) PI4KBHTTKDM4ELMNAABL1
SCHEMBL8288761 0.79 MAPT (0.67) HTTKDM4ELMNAMEN1KMT2A
SCHEMBL3382178 0.77 CYP1A2 (0.48) PI4KBLMNAHDAC3HDAC1HDAC2
SCHEMBL14448967 0.76 HDAC8 (0.65) LMNAHDAC8MEN1KMT2AMAPT
SCHEMBL4421248 0.75 ALDH1A1 (0.54) KDM4ELMNAABL1POLBMEN1
SCHEMBL6497659 0.75 PFKFB3 (0.52) HTTKDM4ELMNAPOLBMEN1
SCHEMBL24624831 0.75 ABL1 (0.50) PI4KBHTTLMNAABL1POLB
SCHEMBL29674596 0.75 ABL1 (0.50) PI4KBHTTLMNAABL1POLB
SCHEMBL14448969 0.74 MAPT (0.68) HTTKDM4ELMNAPOLBHDAC1
SCHEMBL8318198 0.74 HDAC3 (0.50) PI4KBLMNAABL1HDAC3HDAC1

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 PI4KB 329/4885HTT 3298/4885KDM4E 2880/4885

“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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