SCHEMBL4117178

SCHEMBL4117178

O=S(=O)(Oc1ccc2ccccc2c1C1NCCc2ccccc21)C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PRCP P42785 4/20 0.42
GAA P10253 2/20 0.41
DRD2 P14416 2/20 0.37
GID4 Q8IVV7 1/20 0.37
KDM1A O60341 1/20 0.36
RECQL P46063 1/20 0.36
TSHR P16473 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
HIF1A Q16665 1/20 0.35
MAOA P21397 1/20 0.35
MAPT P10636 1/20 0.35
OPRM1 P35372 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
SCHEMBL4117057 0.80 GRIN2D (0.36) DRD2CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL4390219 0.78 DRD2 (0.48) PRCPDRD2CYP1A2CYP2D6CYP2C9
SCHEMBL16264959 0.74 PTGS1 (0.36) DRD2KDM1ACYP1A2CYP2D6CYP2C9
SCHEMBL13189225 0.74 DRD2 (0.35) GAADRD2TSHRKDM4EALDH1A1
SCHEMBL4120535 0.72 PRCP (0.50) PRCPGAAGID4KDM1ARECQL
SCHEMBL6986104 0.72 PRCP (0.52) PRCPGAAGID4RECQLTSHR
SCHEMBL20563974 0.71 MAPT (0.37) GAADRD2TSHRKDM4EALDH1A1
SCHEMBL635407 0.70 MAPT (0.49) DRD2TSHRALDH1A1CYP1A2CYP2C9
SCHEMBL29560409 0.70 MAPT (0.49) DRD2TSHRALDH1A1CYP1A2CYP2C9
SCHEMBL7709361 0.69 MAPT (0.37) GAATSHRKDM4EALDH1A1CYP1A2

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
US-8183378-B2 Ligands, their preparation and uses thereof in asymmetric reactions Li, Chao-Jun (CA) 2012-05-22 US disclosed
US-8183378-B2 Ligands, their preparation and uses thereof in asymmetric reactions Li, Chao-Jun (CA) 2012-05-22 US disclosed
US-20090247757-A1 LIGANDS, THEIR PREPARATION AND USES THEREOF IN ASYMMETRIC REACTIONS CHAO-JUN LI (CA) 2009-10-01 US disclosed
US-20090247757-A1 LIGANDS, THEIR PREPARATION AND USES THEREOF IN ASYMMETRIC REACTIONS CHAO-JUN LI (CA) 2009-10-01 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-20090247757-A1 LIGANDS, THEIR PREPARATION AND USES THEREOF IN ASYMMETRIC REACTIONS OGFR, OR10J3, OPRL1 PRCP 3913/4885GAA 4883/4885DRD2 241/4885

“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.