SCHEMBL3865828

SCHEMBL3865828

Oc1ccc(-c2cccc(-c3cccc4c3oc3ccccc34)c2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.69
GGPS1 O95749 1/20 0.51
PRKDC P78527 4/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
ESR1 P03372 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.46
KDM4E B2RXH2 1/20 0.46
NPC1 O15118 1/20 0.46
TNKS O95271 1/20 0.46
BCHE P06276 1/20 0.46
POLB P06746 1/20 0.46
ACHE P22303 1/20 0.46
RAB9A P51151 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
ABL1 P00519 1/20 0.45
ABCB1 P08183 1/20 0.45
BCR P11274 1/20 0.45
PTGES2 Q9H7Z7 1/20 0.45
PLA2G2A P14555 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
SCHEMBL17057210 0.89 ALOX5 (0.66) ALOX5GGPS1PRKDCMEN1KMT2A
SCHEMBL5380153 0.89 ALOX5 (0.69) ALOX5GGPS1PRKDCMEN1KMT2A
SCHEMBL29892450 0.89 ALOX5 (0.65) ALOX5GGPS1PRKDCMEN1KMT2A
SCHEMBL18698089 0.89 ALOX5 (0.65) ALOX5GGPS1PRKDCMEN1KMT2A
SCHEMBL12996525 0.89 ALOX5 (0.69) ALOX5GGPS1PRKDCMEN1KMT2A
SCHEMBL15855421 0.89 ALOX5 (0.69) ALOX5GGPS1PRKDCMEN1KMT2A
SCHEMBL17057166 0.88 ALOX5 (0.64) ALOX5GGPS1PRKDCSMN1; SMN2KDM4E
SCHEMBL17057225 0.88 ALOX5 (0.64) ALOX5GGPS1PRKDCSMN1; SMN2NPC1
SCHEMBL22181939 0.88 ALOX5 (0.63) ALOX5GGPS1PRKDCSMN1; SMN2KDM4E
SCHEMBL12996512 0.87 ALOX5 (0.71) ALOX5GGPS1PRKDCMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1814869-A2 SUBSTITUTED AMINO ACIDS AS PROTEIN TYROSINE PHOSPHATASE INHIBITORS The Institutes for Pharmaceutical Discovery, LLC (US) 2007-08-08 EP claimed
WO-2006055725-A2 SUBSTITUTED AMINO ACIDS AS PROTEIN TYROSINE PHOSPHATASE INHIBITORS THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY, LLC (US) 2006-05-26 WO claimed
US-7498356-B2 Substituted amino carboxylic acids THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY LLC (US) 2009-03-03 US disclosed
US-7498356-B2 Substituted amino carboxylic acids THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY LLC (US) 2009-03-03 US disclosed
US-7498356-B2 Substituted amino carboxylic acids THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY LLC (US) 2009-03-03 US disclosed
EP-1814869-A2 SUBSTITUTED AMINO ACIDS AS PROTEIN TYROSINE PHOSPHATASE INHIBITORS The Institutes for Pharmaceutical Discovery, LLC (US) 2007-08-08 EP disclosed
US-20060122223-A1 Substituted amino carboxylic acids THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY, LLC 2006-06-08 US disclosed
WO-2006055725-A2 SUBSTITUTED AMINO ACIDS AS PROTEIN TYROSINE PHOSPHATASE INHIBITORS THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY, LLC (US) 2006-05-26 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-20060122223-A1 Substituted amino carboxylic acids PTPRS, PTPRO, PTPRJ ALOX5 1550/4885GGPS1 2741/4885PRKDC 1959/4885

“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.