SCHEMBL6284404

SCHEMBL6284404

C[C@H](O)Cn1cnc2cc(C(F)(F)F)ccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.46
PKM P14618 1/20 0.42
POLB P06746 1/20 0.42
APAF1 O14727 1/20 0.41
QPCT Q16769 1/20 0.41
QPCTL Q9NXS2 1/20 0.41
TBXA2R P21731 1/20 0.39
MC4R P32245 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GGPS1 O95749 2/20 0.37
FDPS P14324 2/20 0.37
DHODH Q02127 1/20 0.37
PDE2A O00408 2/20 0.37

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
SCHEMBL6176862 1.00 NPSR1 (0.46) NPSR1PKMPOLBAPAF1QPCT
SCHEMBL31202825 0.84 QPCT (0.43) NPSR1PKMPOLBQPCTQPCTL
SCHEMBL20393132 0.83 LMNA (0.36) NPSR1MC4RLMNAGAAMAPT
SCHEMBL6758779 0.82 NPSR1 (0.51) NPSR1PKMPOLBQPCTQPCTL
SCHEMBL6283673 0.81 POLB (0.45) POLBAPAF1LMNAGAAMAPT
SCHEMBL6285122 0.78 POLB (0.45) POLBAPAF1NPC1RAB9ALMNA
SCHEMBL19848394 0.78 NPSR1 (0.48) NPSR1PKMQPCTQPCTLNPC1
SCHEMBL20985903 0.78 MAPT (0.60) POLBAPAF1LMNAGAAMAPT
SCHEMBL6176590 0.78 POLB (0.45) POLBAPAF1NPC1RAB9ALMNA
SCHEMBL9598373 0.78 NPSR1 (0.48) NPSR1PKMQPCTQPCTLTBXA2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6875765-B2 Arylsulfonamide ethers, and methods of use thereof WARNER-LAMBERT COMPANY (US) 2005-04-05 US disclosed
US-20030096826-A1 Arylsulfonamide ethers, and methods of use thereof WARNER-LAMBERT COMPANY 2003-05-22 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-20030096826-A1 Arylsulfonamide ethers, and methods of use thereof CASP1, IRAK1, STS NPSR1 1811/4885PKM 3800/4885POLB 4412/4885

“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.