SCHEMBL6867926

SCHEMBL6867926

COc1cccc2cc(C(=O)c3cc4ccccc4s3)n(S(=O)(=O)c3ccccc3)c12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMIGD3 P0DMS9 1/20 0.44
ADORA1 P30542 1/20 0.44
BCL2L1 Q07817 1/20 0.41
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
DYRK1A Q13627 1/20 0.41
PDGFRB P09619 1/20 0.41
PDGFRA P16234 1/20 0.41
TUBB4A P04350 1/20 0.40
TUBB P07437 1/20 0.40
TUBA3C P0DPH7 1/20 0.40
TUBA1B P68363 1/20 0.40
TUBA4A P68366 1/20 0.40
TUBB4B P68371 1/20 0.40
TUBB3 Q13509 1/20 0.40
TUBB2A Q13885 1/20 0.40
TUBB8 Q3ZCM7 1/20 0.40
TUBA3E Q6PEY2 1/20 0.40
TUBA1A Q71U36 1/20 0.40
TUBA1C Q9BQE3 1/20 0.40

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
SCHEMBL6866338 0.83 ALDH1A1 (0.56) ALDH1A1LMNAMAPTMTNR1BGAA
SCHEMBL6869787 0.80 HDAC3 (0.58) BCL2L1DYRK1APDGFRBPDGFRAALDH1A1
SCHEMBL6860238 0.78 RECQL (0.39) TMIGD3ADORA1TUBB4ATUBBTUBA3C
SCHEMBL17927548 0.74 HTR6 (0.43) ALDH1A1LMNAMAPTMTNR1BGAA
SCHEMBL17927657 0.73 HPD (0.39) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL11848936 0.72 CNR2 (0.62) TMIGD3ADORA1BCL2L1CNR1CNR2
SCHEMBL7065741 0.71 LMNA (0.58) ALDH1A1LMNAMAPTMTNR1BNOD2
SCHEMBL6865695 0.70 RECQL (0.56) ALDH1A1LMNAMAPTMTNR1BGAA
SCHEMBL7065481 0.69 ALDH1A1 (0.53) ALDH1A1LMNAMAPTMTNR1BNOD2
SCHEMBL7063873 0.68 ALDH1A1 (0.57) ALDH1A1LMNAMAPTMTNR1BNOD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6812243-B2 AS TYROSINE KINASE INHIBITORS; FOR THERARPY OF TUMORS, ARTERIOSCLEROSIS, RESTENOSIS AFTER BALLOON ANGIOPLASTY, ARTHRITIS AND FIBROTIC DISEASES ZENTARIS AG (DE) 2004-11-02 US disclosed
US-20030008898-A1 Indole derivatives and their use for the treatment of malignant and other diseases based on pathological proliferation ZENTARIS AG (DE) 2003-01-09 US disclosed
US-6407102-B1 TYROSINE KINASE AND PLATELET-DERIVED GROWTH FACTOR INHIBITORS; ANTICARCINOGENIC, ANTITUMOR, ANTIARTHRITIC AND ANTIPROLIFERATIVE AGENTS; RESTENOSIS, ARTERIOSCLEROSIS ZENTARIS AG (DE) 2002-06-18 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 (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-20030008898-A1 Indole derivatives and their use for the treatment of malignant and other diseases based on pathological proliferation MKI67, IDO1, CCNI TMIGD3 4718/4885ADORA1 2348/4885BCL2L1 431/4885

“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.