SCHEMBL3750089

SCHEMBL3750089

CC(C)(C)OC(=O)CC1CCn2c1cc1cc(-c3noc(-c4ccc5c(c4)OCO5)n3)ccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 6/20 0.56
S1PR5 Q9H228 1/20 0.51
RAB9A P51151 5/20 0.46
NPC1 O15118 4/20 0.46
MAPT P10636 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
HPGD P15428 2/20 0.46
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
GAA P10253 1/20 0.43
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
PKM P14618 1/20 0.42
SCD5 Q86SK9 1/20 0.41
LMNA P02545 1/20 0.39
MDM4 O15151 1/20 0.39
USP2 O75604 1/20 0.39

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
SCHEMBL3751192 0.87 S1PR1 (0.69) S1PR1S1PR5RAB9ANPC1MAPT
SCHEMBL3429632 0.87 S1PR1 (0.69) S1PR1S1PR5RAB9ANPC1MAPT
SCHEMBL3749388 0.87 S1PR1 (0.69) S1PR1S1PR5RAB9ANPC1MAPT
SCHEMBL945264 0.85 S1PR1 (0.63) S1PR1S1PR5MAPTTP53POLB
SCHEMBL946556 0.85 S1PR1 (0.79) S1PR1S1PR5
SCHEMBL946042 0.84 S1PR1 (0.58) S1PR1S1PR5
SCHEMBL3429272 0.83 S1PR1 (0.68) S1PR1S1PR5
SCHEMBL3428464 0.83 S1PR1 (0.81) S1PR1S1PR5
SCHEMBL3426941 0.83 S1PR1 (0.67) S1PR1S1PR5
SCHEMBL3428745 0.83 S1PR1 (0.63) S1PR1S1PR5HCRTR1HCRTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 S1PR1 1/4885S1PR5 4/4885RAB9A 3326/4885

“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.