SCHEMBL950211

SCHEMBL950211

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
TSHR P16473 4/20 0.39
HSD17B10 Q99714 4/20 0.39
KDM4E B2RXH2 3/20 0.39
HPGD P15428 3/20 0.39
USP2 O75604 2/20 0.39
POLB P06746 1/20 0.39
ALB P02768 1/20 0.39
FFAR4 Q5NUL3 2/20 0.38
HRH3 Q9Y5N1 1/20 0.38
CCR9 P51686 2/20 0.37
PPARD Q03181 2/20 0.37
PPARA Q07869 2/20 0.37
PLA2G10 O15496 1/20 0.37
PLA2G2A P14555 1/20 0.37
CYP11B2 P19099 1/20 0.37
KMO O15229 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
GLA P06280 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL3424640 0.83 CCR9 (0.39) ALDH1A1TSHRHSD17B10KDM4EHPGD
SCHEMBL2016038 0.82 GRIN2D (0.38)
SCHEMBL3428478 0.79 S1PR1 (0.46) PPARA
SCHEMBL2015486 0.76 S1PR1 (0.59) FFAR4PPARDPPARA
SCHEMBL950798 0.74 S1PR1 (0.64) HPGDMEN1KMT2A
SCHEMBL2207602 0.74 ALOX5 (0.43) HRH3CNR1CNR2
SCHEMBL5778048 0.73 KDM4E (0.40) ALDH1A1HSD17B10KDM4EHPGD
SCHEMBL3431272 0.73 S1PR1 (0.48)
SCHEMBL3426861 0.73 S1PR1 (0.48)
SCHEMBL2015263 0.73 S1PR1 (0.59)

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 2 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
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

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 ALDH1A1 375/4885TSHR 322/4885HSD17B10 1326/4885

“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.