SCHEMBL5226040

SCHEMBL5226040

CNC(=O)Cc1nccs1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.43
ALDH1A1 P00352 4/20 0.42
PKM P14618 4/20 0.42
RAB9A P51151 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 2/20 0.41
CDK5 Q00535 1/20 0.41
CDK5R1 Q15078 1/20 0.41
ACP1 P24666 1/20 0.40
POLB P06746 1/20 0.40
CYP3A4 P08684 1/20 0.40
FFAR2 O15552 1/20 0.40
TSHR P16473 1/20 0.39
LMNA P02545 1/20 0.38
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 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
SCHEMBL10153776 0.84 ALDH1A1 (0.42) FDPSALDH1A1PKMRAB9ASMN1; SMN2
SCHEMBL11247982 0.82 FDPS (0.44) FDPSALDH1A1PKMRAB9ASMN1; SMN2
SCHEMBL4759129 0.82
SCHEMBL3638066 0.81 FDPS (0.43) FDPSALDH1A1PKMRAB9ASMN1; SMN2
SCHEMBL26865302 0.80 HTT (0.45) FDPSALDH1A1PKMRAB9ASMN1; SMN2
SCHEMBL6959399 0.79 HTT (0.46) FDPSALDH1A1PKMRAB9ASMN1; SMN2
SCHEMBL27521697 0.79 ALDH1A1 (0.42) FDPSALDH1A1PKMRAB9ASMN1; SMN2
Bromide SCHEMBL5529731 0.78 HTT (0.45) FDPSALDH1A1PKMRAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL27680689 0.78 HTT (0.45) FDPSALDH1A1PKMRAB9ASMN1; SMN2
SCHEMBL3428398 0.78

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3050873-B1 SULFUR DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN INC (US) 2017-09-13 EP claimed
EP-3050873-A1 SULFUR DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN, INC. (US) 2016-08-03 EP claimed
EP-2651893-B1 SULFUR DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN INC (US) 2016-03-30 EP claimed
EP-2651893-A1 SULFUR DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS Allergan, Inc. (US) 2013-10-23 EP claimed
US-8450367-B2 Sulfur derivatives as chemokine receptor modulators ALLERGAN, INC. (US) 2013-05-28 US claimed
US-20120157487-A1 SULFUR DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN, INC. (US) 2012-06-21 US claimed
WO-2012082566-A1 SULFUR DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN, INC. (US) 2012-06-21 WO claimed
EP-3050873-B1 SULFUR DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN INC (US) 2017-09-13 EP disclosed
US-9663460-B2 Sulfur derivatives as chemokine receptor modulators ALLERGAN, INC. (US) 2017-05-30 US disclosed
US-20170050925-A9 SULFUR DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN, INC. 2017-02-23 US disclosed
US-9512111-B2 N-sulfonylated tetrahydroquinolines and related bicyclic compounds for inhibition of RORγ activity and the treatment of disease LYCERA CORPORATION (US) 2016-12-06 US disclosed
EP-3050873-A1 SULFUR DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN, INC. (US) 2016-08-03 EP disclosed
EP-2651893-B1 SULFUR DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN INC (US) 2016-03-30 EP disclosed
EP-1802615-A1 PHOSPHODIESTERASE 4 INHIBITORS Memory Pharmaceuticals Corporation (US) 2007-07-04 EP disclosed
WO-2006044955-A1 PHOSPHODIESTERASE 4 INHIBITORS MEMORY PHARMACEUTICALS CORPORATION (US) 2006-04-27 WO disclosed
US-6352994-B2 NERVOUS SYSTEM DISORDERS; PSYCHOLOGICAL DISORDERS MERCK SHARP & DOHME LIMITED (GB) 2002-03-05 US disclosed
US-20010018438-A1 Substituted 1H-pyridinyl-2-ones as GABAA alpha 2/3 ligands MERCK SHARP & DOHME LIMITED 2001-08-30 US disclosed
US-6200982-B1 USEFUL IN THERAPY OF DELETERIOUS MENTAL STATES MERCK & DOHME LIMITED (GB) 2001-03-13 US disclosed
EP-0994873-A1 SUBSTITUTED 1H-PYRIDINYL-2-ONES AS GABA A?ALPHA 2/3 LIGANDS MERCK SHARP & DOHME LTD. (GB) 2000-04-26 EP disclosed
WO-1998055480-A1 SUBSTITUTED 1H-PYRIDINYL-2-ONES AS GABAAALPHA 2/3 LIGANDS MERCK SHARP & DOHME LIMITED (GB) 1998-12-10 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 (3 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-20170050925-A9 SULFUR DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS CX3CR1, CXCR2, CCR2 FDPS 1421/4885ALDH1A1 2553/4885PKM 3100/4885
US-20120157487-A1 SULFUR DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS CX3CR1, CXCR2, CCR2 FDPS 1421/4885ALDH1A1 2553/4885PKM 3100/4885
US-20010018438-A1 Substituted 1H-pyridinyl-2-ones as GABAA alpha 2/3 ligands GABRB2, GABRB3, GABRB1 FDPS 2778/4885ALDH1A1 484/4885PKM 1840/4885

“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.