Sugi Predict

Sugi Predict / Compounds / SCHEMBL3483110

SCHEMBL3483110

SCHEMBL3483110

[CH2]CN(C)S(=O)(=O)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CCR5 P51681 1/20 0.53
▸ APOBEC3G Q9HC16 1/20 0.48
▸ ALDH1A1 P00352 4/20 0.47
▸ LMNA P02545 2/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ HSD11B1 P28845 1/20 0.47
▸ NR1H3 Q13133 1/20 0.45
▸ PSIP1 O75475 1/20 0.45
▸ KDM4E B2RXH2 2/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ HTR6 P50406 1/20 0.44
▸ ESR2 Q92731 1/20 0.44
▸ CA12 O43570 1/20 0.43
▸ CA9 Q16790 1/20 0.43
▸ ADRB2 P07550 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ HTT P42858 1/20 0.43

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
SCHEMBL11184672 0.83 CCR5 (0.56) CCR5APOBEC3GALDH1A1LMNATDP1
SCHEMBL3274174 0.82 MAPT (0.55) ALDH1A1LMNAKDM4ECA12CA9
SCHEMBL5191089 0.81 CCR5 (0.59) CCR5APOBEC3GALDH1A1LMNATDP1
SCHEMBL4589513 0.80 SMN1; SMN2 (0.50) ALDH1A1LMNAKDM4EMEN1KMT2A
SCHEMBL1134891 0.79 APOBEC3G (0.54) CCR5APOBEC3GALDH1A1LMNATDP1
SCHEMBL5722107 0.79 CCR5 (0.53) CCR5APOBEC3GALDH1A1LMNATDP1
SCHEMBL10341572 0.79 APOBEC3G (0.54) CCR5APOBEC3GALDH1A1LMNATDP1
SCHEMBL28721493 0.79 C5AR1 (0.51) CCR5APOBEC3GALDH1A1LMNATDP1
SCHEMBL9657376 0.78 APOBEC3G (0.52) APOBEC3GALDH1A1LMNATDP1HSD11B1
SCHEMBL17573165 0.78 CCR5 (0.51) CCR5APOBEC3GALDH1A1LMNATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103211811-B Stable pharmaceutical composition ASAHI KASEI PHARMA CORP 2015-06-10 — — CN disclosed
US-9006225-B2 Stable pharmaceutical composition ASAHI KASEI PHARMA CORPORATION (JP) 2015-04-14 — — US disclosed
CN-103211811-A Stable pharmaceutical composition ASAHI KASEI PHARMA CORP 2013-07-24 — — CN disclosed
CN-101932317-B Stable pharmaceutical composition ASAHI KASEI PHARMA CORP 2013-03-27 — — CN disclosed
CN-101932317-A Stable pharmaceutical composition ASAHI KASEI PHARMA CORP 2010-12-29 — — CN disclosed
EP-2236135-A1 STABLE PHARMACEUTICAL COMPOSITION Asahi Kasei Pharma Corporation (JP) 2010-10-06 — — EP disclosed
US-20100048893-A1 Substituted arylalkanoic acid derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2010-02-25 — — US disclosed
US-20100041725-A1 STABLE PHARMACEUTICAL COMPOSITION ASAHI KASEI PHARMA CORPORATION (JP) 2010-02-18 — — US disclosed
EP-2006271-A9 SUBSTITUTED BICYCLIC CYCLIC DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2009-07-29 — — EP disclosed
CN-101410366-A Substituted bicyclic ring derivatives and uses thereof ASAHI KASEI PHARMA CORP (JP) 2009-04-15 — — CN disclosed
US-20070213333-A1 Substituted arylalkanoic acid derivatives and use thereof ASAHI KASEI PHAMA CORPORATION (JP) 2007-09-13 — — US disclosed
CN-101031539-A Substituted arylalkanoic acid derivatives and use thereof ASAHI KASEI PHAMA CORP (JP) 2007-09-05 — — CN disclosed
EP-1660427-A4 SUBSTITUTED ARYLALKANOIC ACID DERIVATIVE AND USE THEREOF ASAHI KASEI PHARMA CORP (JP) 2006-12-20 — — EP disclosed
EP-1660427-A1 SUBSTITUTED ARYLALKANOIC ACID DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2006-05-31 — — EP disclosed
WO-2005016862-A1 SUBSTITUTED ARYLALKANOIC ACID DERIVATIVE AND USE THEREOF ASAHI KASEI PHARMA CORPORATION (JP) 2005-02-24 — — WO disclosed
US-4354010-A OLEFIN POLYMERIZATION CATALYST IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1982-10-12 — — US disclosed
US-4292238-A Alkylation of benzthiazole-azo-phenylamine dyestuffs BAYER AKTIENGESELLSCHAFT (DE) 1981-09-29 — — US disclosed
US-4039526-A PRINTING, POLYACRYLONITRILE, POLYESTERS, POLYAMIDES BAYER AKTIENGESELLSCHAFT (DT) 1977-08-02 — — US disclosed
US-4035244-A Electric recording process MITA INDUSTRIAL COMPANY LIMITED (JA) 1977-07-12 — — US disclosed
US-3978079-A DIPHTHALIMIDO, DISUCCINIMIDO AND DIMALEIMIDO OXALATES AMERICAN CYANAMID COMPANY (US) 1976-08-31 — — 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 (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-20100048893-A1 Substituted arylalkanoic acid derivatives and use thereof CYSLTR1, CYSLTR2, LTB4R2 CCR5 767/4885APOBEC3G 4197/4885ALDH1A1 996/4885
US-20070213333-A1 Substituted arylalkanoic acid derivatives and use thereof CYSLTR1, CYSLTR2, LTB4R2 CCR5 767/4885APOBEC3G 4197/4885ALDH1A1 996/4885
US-20100041725-A1 STABLE PHARMACEUTICAL COMPOSITION SLC5A1, SLC5A2, SLC2A9 CCR5 1755/4885APOBEC3G 4372/4885ALDH1A1 1812/4885

“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.