SCHEMBL6810055

SCHEMBL6810055

CCOC(=O)C[C@@H]1CCc2cc(NC(=S)c3ccc(C(=N)N)cc3)ccc2O1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 14/20 0.62
ITGA2B P08514 14/20 0.62
F10 P00742 6/20 0.38
F2 P00734 2/20 0.38
MEN1 O00255 1/20 0.38
GLA P06280 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
PRSS1 P07477 4/20 0.38
PRSS2 P07478 4/20 0.38
PRSS3 P35030 4/20 0.38
CYP4F2 P78329 1/20 0.37
CYP4A11 Q02928 1/20 0.37
PLAU P00749 1/20 0.36
PLAT P00750 1/20 0.36
PLG P00747 1/20 0.36
ST14 Q9Y5Y6 1/20 0.36
PARP14 Q460N5 1/20 0.36

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
Hydrochloric Acid SCHEMBL6950435 0.90 ITGB3 (0.75) ITGB3ITGA2BMAPTPLAU
SCHEMBL6343991 0.87 ITGB3 (0.81) ITGB3ITGA2BF10F2
SCHEMBL6955908 0.85 ITGB3 (0.66) ITGB3ITGA2BMEN1GLAMAPT
SCHEMBL6803277 0.84 ITGB3 (0.60) ITGB3ITGA2BF10F2PLAU
Hydrochloric Acid SCHEMBL6958546 0.83 ITGB3 (0.72) ITGB3ITGA2BMEN1MAPTKMT2A
Hydrochloric Acid SCHEMBL6950979 0.83 ITGB3 (0.59) ITGB3ITGA2BF10F2PLAU
Hydrochloric Acid SCHEMBL6953858 0.83 ITGB3 (0.59) ITGB3ITGA2BF10F2PLAU
SCHEMBL6810058 0.82 ITGB3 (0.58) ITGB3ITGA2BMEN1MAPTKMT2A
Hydrochloric Acid SCHEMBL6955140 0.82 ITGB3 (0.62) ITGB3ITGA2BMEN1GLAMAPT
SCHEMBL6346160 0.82 ITGB3 (0.50) ITGB3ITGA2BMEN1GLAMAPT

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-20040044225-A1 Chiral and achiral synthesis of 2-acyl substituted chromanes and their derivatives MILLENNIUM PHARMACEUTICALS, INC. 2004-03-04 US disclosed
WO-2001092249-A2 CHIRAL AND ACHIRAL SYNTHESIS OF 2-ACYL SUBSTITUTED CHROMANES AND THEIR DERIVATIVES COR THERAPEUTICS, INC. (US) 2001-12-06 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-20040044225-A1 Chiral and achiral synthesis of 2-acyl substituted chromanes and their derivatives ACAT2, ACACA, COASY ITGB3 203/4885ITGA2B 395/4885F10 138/4885

“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.