SCHEMBL3402707

SCHEMBL3402707

COC(=O)c1ccc(OCC(F)(F)F)c(C#N)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
HPGD P15428 1/20 0.48
NOTUM Q6P988 2/20 0.45
CYP1A2 P05177 2/20 0.44
CYP2C9 P11712 2/20 0.44
S1PR1 P21453 2/20 0.43
S1PR3 Q99500 1/20 0.43
S1PR5 Q9H228 1/20 0.43
AR P10275 2/20 0.42
NPC1 O15118 1/20 0.42
TP53 P04637 1/20 0.42
RAB9A P51151 1/20 0.42
HSD17B10 Q99714 1/20 0.42
XDH P47989 1/20 0.42
F11 P03951 1/20 0.42
MRGPRX4 Q96LA9 3/20 0.41
KDM4E B2RXH2 2/20 0.41
GLA P06280 1/20 0.41
CYP3A4 P08684 1/20 0.41
GAA P10253 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
SCHEMBL8155432 0.92 NOTUM (0.45) ALDH1A1HPGDNOTUMCYP1A2CYP2C9
SCHEMBL1018049 0.85 ALDH1A1 (0.61) ALDH1A1HPGDS1PR1S1PR3S1PR5
SCHEMBL5874030 0.83 ALDH1A1 (0.56) ALDH1A1HPGDS1PR1S1PR3NPC1
SCHEMBL8148281 0.81 CA1 (0.52) ALDH1A1HPGDCYP1A2CYP2C9TP53
SCHEMBL25315154 0.81 ALDH1A1 (0.56) ALDH1A1HPGDNPC1TP53RAB9A
SCHEMBL4720152 0.81 ALDH1A1 (0.64) ALDH1A1HPGDCYP1A2NPC1TP53
SCHEMBL13515782 0.81 HPGD (0.53) ALDH1A1HPGDS1PR1NPC1TP53
SCHEMBL16533323 0.81 MAPT (0.59) ALDH1A1NOTUMCYP1A2CYP2C9KDM4E
SCHEMBL4275295 0.81 MAPT (0.59) ALDH1A1NOTUMCYP1A2CYP2C9TP53
SCHEMBL10088909 0.81 NOTUM (0.56) ALDH1A1NOTUMCYP1A2CYP2C9S1PR1

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-2025090792-A1 AMIDE PRODRUGS AND USES THEREOF AUTOBAHN THERAPEUTICS, INC. (US) 2025-05-01 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 ALDH1A1 375/4885HPGD 2633/4885NOTUM 4092/4885

“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.