SCHEMBL946035

SCHEMBL946035

N#Cc1ccc2cc3n(c2c1)C(=CC(=O)O)CC3

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCR9 P51686 2/20 0.38
PLA2G10 O15496 1/20 0.38
PLA2G2A P14555 1/20 0.38
TDP2 O95551 12/20 0.37
ALB P02768 1/20 0.36
ALDH1A1 P00352 4/20 0.34
TSHR P16473 4/20 0.34
HSD17B10 Q99714 4/20 0.34
KDM4E B2RXH2 3/20 0.34
HPGD P15428 3/20 0.34
GLA P06280 1/20 0.34
HTT P42858 1/20 0.34
USP2 O75604 2/20 0.34
POLB P06746 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL2014417 0.81 NOTUM (0.36)
SCHEMBL950211 0.65 ALDH1A1 (0.39) CCR9PLA2G10PLA2G2AALBALDH1A1
SCHEMBL946032 0.63 NTRK1 (0.35) POLB
SCHEMBL946033 0.63 NTRK1 (0.35) POLB
SCHEMBL14118535 0.63 LDHA (0.56) CCR9PLA2G10PLA2G2AALBALDH1A1
SCHEMBL30995241 0.62 CYP11B2 (0.48) CCR9PLA2G10PLA2G2AALBALDH1A1
SCHEMBL326814 0.62 MCL1 (0.57) CCR9PLA2G10PLA2G2ATDP2ALB
SCHEMBL31689667 0.61 ALDH1A1 (0.54) CCR9PLA2G10PLA2G2ATDP2ALB
SCHEMBL21822179 0.61 ALDH1A1 (0.54) CCR9PLA2G10PLA2G2ATDP2ALB
SCHEMBL30995226 0.61 CYP11B2 (0.53) CCR9PLA2G10PLA2G2AALBALDH1A1

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
WO-2011005290-A1 DISUBSTITUTED OXADIAZOLE DERIVATIVES USEFUL IN THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISORDERS ARENA PHARMACEUTICALS, INC. (US) 2011-01-13 WO disclosed
EP-2252615-A1 DIHYDRO- 1H- PYRROLO [1,2-A]INDOL-1-YL CARBOXYLIC DERIVATIVES WHICH ACT AS S1P1 AGONISTS Arena Pharmaceuticals, Inc. (US) 2010-11-24 EP disclosed
US-20100292233-A1 DIHYDRO-1H-PYRROLO[1,2-A]INDOL-1-YL CARBOXYLIC ACID DERIVATIVES WHICH ACT AS S1P1 AGONISTS ARENA PHARMACEUTICALS, INC. (US) 2010-11-18 US disclosed
WO-2009094157-A1 DIHYDRO- 1H- PYRROLO [1,2-A] INDOL-1-YL CARBOXYLIC DERIVATIVES WHICH ACT AS S1P1 AGONISTS ARENA PHARMACEUTICALS, INC. (US) 2009-07-30 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-20100292233-A1 DIHYDRO-1H-PYRROLO[1,2-A]INDOL-1-YL CARBOXYLIC ACID DERIVATIVES WHICH ACT AS S1P1 AGONISTS S1PR1, S1PR2, S1PR3 CCR9 279/4885PLA2G10 612/4885PLA2G2A 694/4885

“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.