SCHEMBL6286684

SCHEMBL6286684

CC(C)(O)CNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-]

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PKM P14618 4/20 0.59
ALDH1A1 P00352 4/20 0.54
KMT2A Q03164 2/20 0.53
MEN1 O00255 1/20 0.53
ALDH3A1 P30838 4/20 0.52
LMNA P02545 3/20 0.50
POLB P06746 2/20 0.48
MAPT P10636 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.45
GAA P10253 1/20 0.45
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL22725406 0.82 KAT2B (0.58) ALDH1A1LMNAPOLBMAPTSMN1; SMN2
SCHEMBL2019323 0.81 LMNA (0.72) PKMALDH1A1KMT2AMEN1ALDH3A1
SCHEMBL6414763 0.81 KDM4E (0.50) PKMKMT2AMEN1MAPTTDP1
SCHEMBL22725430 0.81 MAPT (0.61) PKMALDH1A1KMT2AMEN1LMNA
SCHEMBL10485197 0.81 PKM (0.65) PKMALDH1A1KMT2AMEN1ALDH3A1
SCHEMBL6261849 0.81 MAPT (0.46) PKMALDH1A1KMT2AMEN1LMNA
SCHEMBL6274888 0.78 STAT3 (0.63) PKMALDH1A1KMT2AMEN1LMNA
SCHEMBL31327395 0.77 ALDH1A1 (0.56) PKMALDH1A1KMT2AMEN1ALDH3A1
SCHEMBL6278066 0.77 MAPT (0.54) ALDH1A1KMT2AMEN1MAPTSMN1; SMN2
SCHEMBL10485359 0.76 KMT2A (0.57) PKMALDH1A1KMT2AMEN1ALDH3A1

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 PKM 997/4885ALDH1A1 3145/4885KMT2A 1803/4885

“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.