SCHEMBL3979409

SCHEMBL3979409

NC(c1ccccc1)C(O)(O)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 1/20 0.43
CYP2D6 P10635 1/20 0.43
SRC P12931 1/20 0.43
DPP4 P27487 2/20 0.42
F2 P00734 1/20 0.42
LMNA P02545 2/20 0.41
MAPK1 P28482 1/20 0.41
CTSD P07339 1/20 0.41
CES2 O00748 1/20 0.40
CES1 P23141 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
SCHEMBL7836925 0.78 AOC3 (0.46) CYP2D6SRCDPP4F2LMNA
SCHEMBL1082423 0.78 CYP2D6 (0.43) CYP2D6SRCDPP4F2LMNA
SCHEMBL9263647 0.77 CA1 (0.47) CYP2D6MAPK1CES2CES1
SCHEMBL288096 0.77 CYP2D6 (0.41) KCNA5CYP2D6SRCDPP4F2
Hydrochloric Acid SCHEMBL7826397 0.77 ALDH1A1 (0.45) CYP2D6SRCDPP4F2LMNA
SCHEMBL17841494 0.77 CYP2D6 (0.41) KCNA5CYP2D6SRCDPP4F2
SCHEMBL8572896 0.77 CYP2C19 (0.43) CYP2D6SRCDPP4F2LMNA
SCHEMBL28827939 0.77 DPP4 (0.50) KCNA5DPP4F2LMNA
SCHEMBL27583003 0.76 CYP2D6 (0.42) KCNA5CYP2D6SRCDPP4F2
SCHEMBL6285588 0.75 KCNA5 (0.45) KCNA5CYP2D6SRCDPP4F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1562927-B1 THIO-ANALOGUES OF PACLITAXEL AND INTERMEDIATES THEREOF CHATHAM BIOTEC LTD (CA) 2009-05-13 EP disclosed
US-20070032646-A1 Novel taxanes and methods related to use and preparation thereof INNOVATIONAL HOLDINGS LLC 2007-02-08 US disclosed
CN-1703409-A Novel taxanes and methods related to use and preparation thereof PHYTOGEN LIFE SCIENCES INC (CA) 2005-11-30 CN disclosed
EP-1562927-A2 THIO-ANALOGUES OF PACLITAXEL AND INTERMEDIATES THEREOF Phytogen Life Sciences Inc. (CA) 2005-08-17 EP disclosed
US-20040132991-A1 Novel taxanes and methods related to use and preparation thereof PHYTOGEN LIFE SCIENCES INC. (CA) 2004-07-08 US disclosed
WO-2004033442-A2 NOVEL TAXANES AND METHODS RELATED TO USE AND PREPARATION THEREOF CHATHAM BIOTEC LTD. (CA) 2004-04-22 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 (2 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-20070032646-A1 Novel taxanes and methods related to use and preparation thereof TUBB8B, TUBA1B, TUBB KCNA5 4764/4885CYP2D6 979/4885SRC 3160/4885
US-20040132991-A1 Novel taxanes and methods related to use and preparation thereof TUBB8B, TUBA1B, TUBB KCNA5 4764/4885CYP2D6 979/4885SRC 3160/4885

“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.