SCHEMBL6527209

SCHEMBL6527209

CNS(=O)(=O)c1cc(CC(=O)O)ccc1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.41
MAPT P10636 3/20 0.41
HPGD P15428 3/20 0.41
HSD17B10 Q99714 3/20 0.41
GAA P10253 3/20 0.41
POLB P06746 2/20 0.41
TSHR P16473 2/20 0.41
NFKB1 P19838 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
RGS12 O14924 1/20 0.41
LMNA P02545 1/20 0.41
APEX1 P27695 1/20 0.41
THPO P40225 1/20 0.41
BLM P54132 1/20 0.41
GNAI1 P63096 1/20 0.41
PMP22 Q01453 1/20 0.41
HIF1A Q16665 1/20 0.41
PTK2B Q14289 1/20 0.40
CA5A P35218 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL6488913 0.82 GSTO1 (0.55) KDM4EMAPTHPGDHSD17B10GAA
SCHEMBL18574475 0.76 PTK2B (0.66) MAPTHSD17B10GAAPOLBLMNA
SCHEMBL163727 0.74 MEP1B (0.59) KDM4EHPGDGAALMNACA5A
SCHEMBL20424876 0.73 ALDH1A1 (0.50) KDM4EMAPTHPGDHSD17B10TSHR
SCHEMBL10153817 0.73 SMN1; SMN2 (0.48) POLBLMNAALDH1A1KMT2A
SCHEMBL6490087 0.73 ADRA2A (0.44)
SCHEMBL154429 0.73 KDM4E (0.55) KDM4EMAPTHPGDHSD17B10GAA
SCHEMBL14744537 0.72 HPGD (0.43) KDM4EMAPTHPGDHSD17B10GAA
SCHEMBL3846633 0.72 PTGDR2 (0.49) POLBTDP1LMNAL3MBTL1PTGDR2
SCHEMBL1699671 0.72 KDM4E (0.50) KDM4EMAPTHPGDHSD17B10GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050020576-A1 Kappa agonist compounds and pharmaceutical formulations thereof ADOLOR CORPORATION 2005-01-27 US disclosed
EP-1112252-A4 KAPPA AGONIST COMPOUNDS AND PHARMACEUTICAL FORMULATIONS THEREOF ADOLOR CORP (US) 2004-07-14 EP disclosed
US-6750216-B2 HETEROCYCLIC AMINES SUCH AS 2-(2-(N-METHYLSULFAMOYL)-4-METHOXY -PHENYL)-N-METHYL-N-((1S)-1-PHENYL-2-((1-PYRROLIDINYL)ETHYL)) ACETAMIDE, ADMINISTERED AS ANALGESICS ADOLOR CORPORATION 2004-06-15 US disclosed
US-20030144272-A1 Kappa agonist compounds and pharmaceutical formulations thereof ADOLOR CORPORATION 2003-07-31 US disclosed
US-6492351-B1 Kappa agonist compounds, pharmaceutical formulations and method of prevention and treatment of pruritus therewith ADOLOR CORPORATION 2002-12-10 US disclosed
US-6486165-B2 TREATING WITH AGONISTS AT KAPPA OPIOID RECEPTORS SUCH AS METHYL-4-(2-GLYCYL-4-(TRIFLUOROMETHYLPHENYL)ACETYL)-3-(R,S)-((1 -PYRROLIDINYL)-METHYL)-1-PIPERAZINECARBOXYLATE ADOLOR CORPORATION 2002-11-26 US disclosed
US-6476063-B2 DEVOID OF CENTRAL NERVOUS SYSTEM EFFECTS; TOPICAL AND SYSTEMIC ADMINISTRATION; ANTIPRURITIC AGEENTS; ANALGESICS 1-ARYLMETHYLCARBONYL-2-PYRROLIDIN-1-YL-PIPERAZINES ADOLOR CORPORATION 2002-11-05 US disclosed
US-20020103164-A1 Kappa agonist compounds, pharmaceutical formulations and method of prevention and treatment of pruritus therewith ADOLOR CORPORATION 2002-08-01 US disclosed
US-6391910-B1 OPIOID ANTAGONIST; ANALGESIC ADOLOR CORPORATION 2002-05-21 US disclosed
US-20020013296-A1 Kappa agonist compounds, pharmaceutical formulations and method of prevention and treatment of pruritus therewith ADOLOR CORPORATION 2002-01-31 US disclosed
US-6303611-B1 FOR THERAPY OF HYPERALGESIS ADOLOR CORPORATION 2001-10-16 US disclosed
EP-1112252-A1 KAPPA AGONIST COMPOUNDS AND PHARMACEUTICAL FORMULATIONS THEREOF Adolor Corporation (US) 2001-07-04 EP disclosed
US-6239154-B1 ARYLACETAMIDES, AGONISTS AT KAPPA OPIOID RECEPTORS. ADOLOR CORPORATION 2001-05-29 US disclosed
US-6057323-A PIPERAZINE DERIVATIVES ADOLOR CORPORATION (US) 2000-05-02 US disclosed
US-6054445-A KAPPA OPIOID AGONIST ACTIVITY; ANALGESICS AND ANTI-PRURITIC AGENTS ADOLOR CORPORATION (US) 2000-04-25 US disclosed
WO-2000014065-A1 KAPPA AGONIST COMPOUNDS AND PHARMACEUTICAL FORMULATIONS THEREOF ADOLOR CORPORATION (US) 2000-03-16 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 (4 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-20020103164-A1 Kappa agonist compounds, pharmaceutical formulations and method of prevention and treatment of pruritus therewith OPRK1, OPRD1, HRH4 KDM4E 1598/4885MAPT 3158/4885HPGD 1842/4885
US-20030144272-A1 Kappa agonist compounds and pharmaceutical formulations thereof OPRK1, OPRD1, OPRM1 KDM4E 979/4885MAPT 2990/4885HPGD 2273/4885
US-20050020576-A1 Kappa agonist compounds and pharmaceutical formulations thereof OPRK1, OPRD1, OPRM1 KDM4E 813/4885MAPT 2935/4885HPGD 2159/4885
US-20020013296-A1 Kappa agonist compounds, pharmaceutical formulations and method of prevention and treatment of pruritus therewith OPRK1, OPRD1, HRH4 KDM4E 1598/4885MAPT 3158/4885HPGD 1842/4885

“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.