SCHEMBL3427316

SCHEMBL3427316

CC(C)(C)OC(=O)CC1CCn2c1cc1cc(-c3noc(-c4cc(OC(F)(F)F)cc(-c5cccnc5)c4)n3)ccc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 9/20 0.61
S1PR5 Q9H228 3/20 0.61
NPC1 O15118 5/20 0.39
RAB9A P51151 5/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
TP53 P04637 3/20 0.39
MAPT P10636 3/20 0.39
LMNA P02545 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
S1PR4 O95977 2/20 0.38
PKM P14618 1/20 0.37
HTR2C P28335 1/20 0.37
RET P07949 1/20 0.37
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36

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
SCHEMBL3429398 0.91 S1PR1 (0.73) S1PR1S1PR5NPC1RAB9ASMN1; SMN2
SCHEMBL3750085 0.91 S1PR1 (0.73) S1PR1S1PR5NPC1RAB9ASMN1; SMN2
SCHEMBL3750786 0.91 S1PR1 (0.73) S1PR1S1PR5NPC1RAB9ASMN1; SMN2
SCHEMBL3428745 0.89 S1PR1 (0.63) S1PR1S1PR5HCRTR1HCRTR2
SCHEMBL3431632 0.88 S1PR1 (0.66) S1PR1S1PR5S1PR4
SCHEMBL3428993 0.85 S1PR1 (0.83) S1PR1S1PR5S1PR4
SCHEMBL3427322 0.82 S1PR1 (0.40) S1PR1S1PR5NPC1RAB9ASMN1; SMN2
SCHEMBL946556 0.82 S1PR1 (0.79) S1PR1S1PR5CYP2C9S1PR4
SCHEMBL3752419 0.79 S1PR1 (0.82) S1PR1S1PR5
SCHEMBL3745687 0.79 S1PR1 (0.76) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 S1PR1 1/4885S1PR5 4/4885NPC1 573/4885

“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.