SCHEMBL4827489

SCHEMBL4827489

O=S(=O)(c1cccc(-c2ccncc2)c1)C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 5/20 0.49
KIF11 P52732 2/20 0.45
LARS1 Q9P2J5 1/20 0.43
ALDH1A1 P00352 1/20 0.42
PRKCI P41743 1/20 0.41
NOTUM Q6P988 1/20 0.41
HTR6 P50406 2/20 0.40
PFKFB3 Q16875 1/20 0.39
ALOX5 P09917 1/20 0.39
NR1H2 P55055 2/20 0.39
NR1H3 Q13133 2/20 0.39
PTGES2 Q9H7Z7 1/20 0.39
PRMT6 Q96LA8 1/20 0.38
SYK P43405 1/20 0.38

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
SCHEMBL7486543 0.91 LRRK2 (0.44) LRRK2KIF11LARS1ALDH1A1PRKCI
SCHEMBL8519013 0.78 ALDH1A1 (0.57) KIF11ALDH1A1
SCHEMBL30690007 0.77 ALOX5 (0.53) LRRK2KIF11LARS1ALOX5NR1H2
SCHEMBL17367960 0.77 ALOX5 (0.53) LRRK2KIF11LARS1ALOX5NR1H2
Hydrochloric Acid SCHEMBL31280707 0.76 ALOX5 (0.52) LRRK2KIF11LARS1ALOX5NR1H2
Hydrochloric Acid SCHEMBL26666885 0.76 ALOX5 (0.52) LRRK2KIF11LARS1ALOX5NR1H2
SCHEMBL7430043 0.75 ALDH1A1 (0.57) LRRK2KIF11LARS1ALDH1A1
Trifluoromethanesulfonic Acid SCHEMBL1138791 0.74 CYP17A1 (0.53) KIF11PRKCI
SCHEMBL1138793 0.74 EPHX1 (0.43) LRRK2KIF11PRKCINOTUM
SCHEMBL31627321 0.74 RXFP1 (0.42) NR1H2NR1H3PTGES2SYK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE46117-E1 Modulators of dopamine neurotransmission TEVA PHARMACEUTICALS INTERNATIONAL GMBH (CH) 2016-08-23 US disclosed
US-7417043-B2 Modulators of dopamine neurotransmission NEUROSEARCH SWEDEN AB (SE) 2008-08-26 US disclosed
US-20060135531-A1 Modulators of dopamine neurotransmission A. CARLSSON RESEARCH AB (SE) 2006-06-22 US disclosed
EP-1240142-B1 NEW MODULATORS OF DOPAMINE NEUROTRANSMISSION CARLSSON A RESEARCH AB (SE) 2005-10-19 EP disclosed
US-6903120-B2 A 4-(phenyl-N- alkyl)-piperidine derivatives for treatment of central nervous system disorders, Parkinson disease, anxiety, dyskinesias, dystonias, Tourette's disease, psychoses, hallucinoses, sleep disorder, autism A. CARLSSON RESEARCH AB (SE) 2005-06-07 US disclosed
EP-1428822-A2 1-phenylpiperazine derivative as modulators of dopamine neurotransmission A. Carlsson Research AB (SE) 2004-06-16 EP disclosed
US-20030139423-A1 Modulators of dopamine neurotransmission TEVA PHARMACEUTICALS INTERNATIONAL GMBH (CH) 2003-07-24 US disclosed
EP-1240142-A1 NEW MODULATORS OF DOPAMINE NEUROTRANSMISSION A. Carlsson Research AB (SE) 2002-09-18 EP disclosed
WO-2001046145-A1 NEW MODULATORS OF DOPAMINE NEUROTRANSMISSION A. CARLSSON RESEARCH AB (SE) 2001-06-28 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 (2 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-20060135531-A1 Modulators of dopamine neurotransmission SLC6A3, BRS3, CHRNA3 LRRK2 193/4885KIF11 2041/4885LARS1 3621/4885
US-20030139423-A1 Modulators of dopamine neurotransmission OPRD1, OPRK1, OPRM1 LRRK2 321/4885KIF11 4377/4885LARS1 1378/4885

“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.