SCHEMBL3483330

SCHEMBL3483330

O=C(O)c1cc2c[c]ccc2o1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 9/20 0.53
PIM2 Q9P1W9 4/20 0.49
TP53 P04637 2/20 0.46
LMNA P02545 1/20 0.46
CSNK2A1 P68400 4/20 0.46
CSNK2A2 P19784 3/20 0.46
CSNK2B P67870 3/20 0.46
CSNK2A3 Q8NEV1 3/20 0.46
TSHR P16473 3/20 0.46
MAPK1 P28482 2/20 0.46
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 2/20 0.42
HPGD P15428 2/20 0.42
GLA P06280 1/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
FLT3 P36888 3/20 0.42

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
SCHEMBL7038519 0.86 FLT3 (0.42) PIM1PIM2TP53LMNATSHR
SCHEMBL20562270 0.86 PIM1 (0.49) PIM1PIM2TP53LMNACSNK2A1
SCHEMBL3488474 0.84 ALDH1A1 (0.56) PIM1TP53LMNATSHRMAPK1
SCHEMBL3488346 0.80 ALDH1A1 (0.43) PIM1LMNAALDH1A1KDM4EHPGD
SCHEMBL6334976 0.80 NPC1 (0.48) TP53LMNATSHRMAPK1ALDH1A1
SCHEMBL6869618 0.77 AKR1B1 (0.48) TSHRMAPK1ALDH1A1KDM4EHPGD
SCHEMBL3488327 0.77 MAPT (0.39) PIM1TP53LMNAMAPK1ALDH1A1
SCHEMBL155789 0.73 FLT3 (0.74) PIM1TP53CSNK2A1CSNK2A2CSNK2B
Benzene SCHEMBL28107977 0.73 FLT3 (0.74) PIM1TP53CSNK2A1CSNK2A2CSNK2B
SCHEMBL29460209 0.73 FLT3 (0.74) PIM1TP53CSNK2A1CSNK2A2CSNK2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100016321-A1 DERIVATIVES OF ISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDES AS LIVER X RECEPTOR MODULATOR ASTRAZENECA AB (SE) 2010-01-21 US claimed
US-7582629-B2 Derivatives of isothiazol-3(2H)-one 1,1-dioxides as liver X receptor modulators ASTRAZENECA AB (SE) 2009-09-01 US claimed
US-20080255122-A1 Derivatives of Isothiazol-3(2H)-One 1,1-Dioxides as Liver X Receptor Modulators ASTRAZENECA AB (SE) 2008-10-16 US claimed
EP-1838686-A1 DERIVATIVES OF ISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDES AS LIVER X RECEPTOR MODULATORS AstraZeneca AB (SE) 2007-10-03 EP claimed
WO-2006073363-A1 DERIVATIVES OF ISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDES AS LIVER X RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2006-07-13 WO claimed
US-11839613-B2 Pyrimidine derivatives as PGE2 receptor modulators IDORSIA PHARMACEUTICALS LTD (CH) 2023-12-12 US disclosed
US-11712438-B2 Phenyl derivatives as PGE2 receptor modulators IDORSIA PHARMACEUTICALS LTD (CH) 2023-08-01 US disclosed
US-11325899-B2 Benzofurane and benzothiophene derivatives as PGE2 receptor modulators IDORSIA PHARMACEUTICALS LTD (CH) 2022-05-10 US disclosed
EP-3625223-B1 PYRIMIDINE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2021-08-11 EP disclosed
EP-3625222-B1 PHENYL DERIVATIVES AS PGE2 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2021-07-21 EP disclosed
EP-3625228-B1 PYRIMIDINE DERIVATIVES AS PGE2 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2021-07-07 EP disclosed
US-20210113559-A1 PYRIMIDINE DERIVATIVES AS PGE2 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2021-04-22 US disclosed
US-20070213333-A1 Substituted arylalkanoic acid derivatives and use thereof ASAHI KASEI PHAMA CORPORATION (JP) 2007-09-13 US disclosed
EP-1660427-A4 SUBSTITUTED ARYLALKANOIC ACID DERIVATIVE AND USE THEREOF ASAHI KASEI PHARMA CORP (JP) 2006-12-20 EP disclosed
WO-2006073363-A1 DERIVATIVES OF ISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDES AS LIVER X RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2006-07-13 WO disclosed
EP-1660427-A1 SUBSTITUTED ARYLALKANOIC ACID DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2006-05-31 EP disclosed
US-6867320-B2 Substituted phenylalkanoic acid derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2005-03-15 US disclosed
WO-2005016862-A1 SUBSTITUTED ARYLALKANOIC ACID DERIVATIVE AND USE THEREOF ASAHI KASEI PHARMA CORPORATION (JP) 2005-02-24 WO disclosed
EP-1477472-A1 SUBSTITUTED PHENYLALKANOIC ACID DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2004-11-17 EP disclosed
US-20040044258-A1 Substituted phenylalkanoic acid derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2004-03-04 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 (8 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-11712438-B2 Phenyl derivatives as PGE2 receptor modulators PTGER1, PTGER4, PTGER2 PIM1 2971/4885PIM2 2914/4885TP53 929/4885
US-20100016321-A1 DERIVATIVES OF ISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDES AS LIVER X RECEPTOR MODULATOR NR1H2, NR1H3, NR1I2 PIM1 3175/4885PIM2 2842/4885TP53 4351/4885
US-11839613-B2 Pyrimidine derivatives as PGE2 receptor modulators PTGER1, PTGER4, PTGER2 PIM1 3835/4885PIM2 3757/4885TP53 952/4885
US-20210113559-A1 PYRIMIDINE DERIVATIVES AS PGE2 RECEPTOR MODULATORS PTGER1, PTGER4, PTGER2 PIM1 3835/4885PIM2 3757/4885TP53 952/4885
US-20040044258-A1 Substituted phenylalkanoic acid derivatives and use thereof PTGER1, CYSLTR1, PTGS1 PIM1 1347/4885PIM2 2465/4885TP53 4018/4885
US-11325899-B2 Benzofurane and benzothiophene derivatives as PGE2 receptor modulators PTGER4, PTGER1, PTGER2 PIM1 3327/4885PIM2 3086/4885TP53 1311/4885
US-20070213333-A1 Substituted arylalkanoic acid derivatives and use thereof CYSLTR1, CYSLTR2, LTB4R2 PIM1 4143/4885PIM2 4457/4885TP53 4835/4885
US-20080255122-A1 Derivatives of Isothiazol-3(2H)-One 1,1-Dioxides as Liver X Receptor Modulators NR1H2, NR1H3, NR1I2 PIM1 3238/4885PIM2 2839/4885TP53 4325/4885

“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.