SCHEMBL6367100

SCHEMBL6367100

O=C(O)[C@@H](CO)c1ccc2c(c1)OCO2

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK9 P45984 1/20 0.68
CYP1A2 P05177 3/20 0.55
CYP2C19 P33261 3/20 0.55
CYP2C9 P11712 2/20 0.55
AKR1C3 P42330 1/20 0.51
AKR1C2 P52895 1/20 0.51
EDNRA P25101 3/20 0.50
KMT2A Q03164 2/20 0.50
PTGS1 P23219 1/20 0.50
PTGS2 P35354 1/20 0.50
ALDH1A1 P00352 2/20 0.49
MAPK1 P28482 2/20 0.49
MME P08473 1/20 0.48
CYP3A4 P08684 4/20 0.47
CYP2D6 P10635 2/20 0.47
CTNNB1 P35222 1/20 0.44
WNT3A P56704 1/20 0.44
SRD5A2 P31213 1/20 0.44
MEN1 O00255 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
SCHEMBL6367096 1.00 MAPK9 (0.68) MAPK9CYP1A2CYP2C19CYP2C9AKR1C3
SCHEMBL6985620 0.86 MAPK9 (0.66) MAPK9CYP1A2CYP2C19CYP2C9AKR1C3
SCHEMBL31062585 0.86 AKR1C3 (0.66) MAPK9CYP1A2CYP2C19CYP2C9AKR1C3
SCHEMBL7269510 0.86 MAPK9 (0.66) MAPK9CYP1A2CYP2C19CYP2C9AKR1C3
SCHEMBL14537417 0.86 AKR1C3 (0.66) MAPK9CYP1A2CYP2C19CYP2C9AKR1C3
SCHEMBL7835310 0.86 AKR1C3 (0.66) MAPK9CYP1A2CYP2C19CYP2C9AKR1C3
SCHEMBL2183809 0.83 MAPK9 (0.63) MAPK9CYP1A2CYP2C19CYP2C9AKR1C3
SCHEMBL7975875 0.82 MAPK9 (0.61) MAPK9CYP1A2CYP2C19CYP2C9AKR1C3
SCHEMBL9267584 0.82 MAPK9 (0.61) MAPK9CYP1A2CYP2C19CYP2C9AKR1C3
SCHEMBL31193054 0.81 EDNRA (0.64) MAPK9CYP1A2CYP2C19CYP2C9EDNRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6838478-B2 Amino acid derivatives and their use as thrombin inhibitors ASTRAZENECA AB (SE) 2005-01-04 US disclosed
EP-0910573-B1 NEW AMINO ACID DERIVATIVES AND THEIR USE AS THROMBIN INHIBITORS ASTRAZENECA AB (SE) 2003-01-29 EP disclosed
US-20020019371-A1 New amino acid derivatives and their use as thrombin inhibitors ASTRAZENECA AB 2002-02-14 US disclosed
US-6255301-B1 CARDIOVASCULAR DISORDERS; ANTICOAGULANT; PROTEASE INHIBITORS ASTRAZENECA AB (SE) 2001-07-03 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-20020019371-A1 New amino acid derivatives and their use as thrombin inhibitors F2, SERPINC1, FGB MAPK9 1975/4885CYP1A2 1212/4885CYP2C19 665/4885

“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.