SCHEMBL3751192

SCHEMBL3751192

O=C(O)C[C@@H]1CCn2c1cc1cc(-c3noc(-c4ccc5c(c4)OCO5)n3)ccc12

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 11/20 0.69
S1PR5 Q9H228 2/20 0.59
RAB9A P51151 6/20 0.49
NPC1 O15118 5/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
PKM P14618 2/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
MAPT P10636 4/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
GAA P10253 1/20 0.45
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.41
POLB P06746 1/20 0.41
ESR2 Q92731 1/20 0.41

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
SCHEMBL3429632 1.00 S1PR1 (0.69) S1PR1S1PR5RAB9ANPC1SMN1; SMN2
SCHEMBL3749388 1.00 S1PR1 (0.69) S1PR1S1PR5RAB9ANPC1SMN1; SMN2
SCHEMBL3750089 0.87 S1PR1 (0.56) S1PR1S1PR5RAB9ANPC1SMN1; SMN2
SCHEMBL3740478 0.87 S1PR1 (0.69) S1PR1S1PR5S1PR4
SCHEMBL3739690 0.87 S1PR1 (0.69) S1PR1S1PR5S1PR4
SCHEMBL3429036 0.87 S1PR1 (0.69) S1PR1S1PR5S1PR4
SCHEMBL3749781 0.84 S1PR1 (0.75) S1PR1S1PR5S1PR4
SCHEMBL3426888 0.84 S1PR1 (0.75) S1PR1S1PR5S1PR4
SCHEMBL3741344 0.84 S1PR1 (0.75) S1PR1S1PR5S1PR4
SCHEMBL3753361 0.83 S1PR1 (0.70) S1PR1S1PR5S1PR4

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.