SCHEMBL235585

SCHEMBL235585

O=C(O)CCc1cc2ccccn2c1CC(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.40
PTGER1 P34995 2/20 0.39
PTGER4 P35408 2/20 0.39
PTGER3 P43115 2/20 0.39
PTGER2 P43116 2/20 0.39
FFAR1 O14842 3/20 0.38
NPSR1 Q6W5P4 1/20 0.38
L3MBTL1 Q9Y468 3/20 0.37
RAB9A P51151 2/20 0.37
MAPT P10636 2/20 0.37
NPC1 O15118 1/20 0.37
FFAR4 Q5NUL3 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
KDM4E B2RXH2 1/20 0.36
HTT P42858 2/20 0.36
ATM Q13315 1/20 0.35
THRB P10828 1/20 0.35
AKR1B1 P15121 2/20 0.35
ALDH1A1 P00352 1/20 0.34
CYP3A4 P08684 1/20 0.34

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
SCHEMBL8019696 0.68 AKR1B1 (0.59) KEAP1PTGER1PTGER4PTGER3PTGER2
SCHEMBL59198 0.67 KEAP1 (0.65) KEAP1PTGER1PTGER4PTGER3PTGER2
SCHEMBL3229293 0.66 AKR1B1 (0.42) FFAR1L3MBTL1RAB9AMAPTSMN1; SMN2
SCHEMBL1644351 0.65 L3MBTL1 (0.55) NPSR1L3MBTL1RAB9AMAPTNPC1
SCHEMBL11079665 0.65 KDM4E (0.58) L3MBTL1RAB9AMAPTSMN1; SMN2KDM4E
SCHEMBL17537567 0.64 TDP1 (0.56) KEAP1PTGER1PTGER4PTGER3PTGER2
Hydrochloric Acid SCHEMBL5756808 0.64 PTGS1 (0.56) KEAP1NPC1KDM4EALDH1A1HPGD
SCHEMBL10767518 0.64 KEAP1 (0.46) KEAP1PTGER1PTGER4PTGER3PTGER2
SCHEMBL11609838 0.63 L3MBTL1 (0.48) L3MBTL1RAB9AMAPTSMN1; SMN2KDM4E
SCHEMBL12480176 0.63 ALDH1A1 (0.49) L3MBTL1RAB9AMAPTNPC1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120004233-A1 TRICYCLIC COMPOUNDS AS ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC (US) 2012-01-05 US disclosed
US-20120004233-A1 TRICYCLIC COMPOUNDS AS ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC (US) 2012-01-05 US disclosed
US-20120004233-A1 TRICYCLIC COMPOUNDS AS ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC (US) 2012-01-05 US disclosed
WO-2010085820-A2 TRICYCLIC COMPOUNDS AS ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-07-29 WO disclosed
WO-2010085820-A2 TRICYCLIC COMPOUNDS AS ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-07-29 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-20120004233-A1 TRICYCLIC COMPOUNDS AS ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 KEAP1 3002/4885PTGER1 4/4885PTGER4 7/4885

“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.