SCHEMBL4314734

SCHEMBL4314734

COCc1cccc(OCCO)c1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
RECQL P46063 1/20 0.50
CYP4F2 P78329 1/20 0.50
CYP4A11 Q02928 1/20 0.50
IDO1 P14902 2/20 0.46
AGXT P21549 2/20 0.46
KDM4E B2RXH2 2/20 0.46
MAOB P27338 7/20 0.45
POLB P06746 1/20 0.44
MRGPRX4 Q96LA9 1/20 0.43
GAA P10253 1/20 0.43
FFAR1 O14842 1/20 0.43
CHRNB2 P17787 1/20 0.42
CHRNA4 P43681 1/20 0.42
TSHR P16473 1/20 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
SCHEMBL3193716 0.83 MAOB (0.51) ALDH1A1IDO1AGXTKDM4EMAOB
SCHEMBL515973 0.82 POLB (0.59) ALDH1A1RECQLCYP4F2CYP4A11KDM4E
SCHEMBL14724394 0.82 ALDH1A1 (0.57) ALDH1A1RECQLCYP4F2CYP4A11KDM4E
SCHEMBL21116575 0.80 IDO1 (0.50) ALDH1A1CYP4F2CYP4A11IDO1AGXT
SCHEMBL10334435 0.80 CYP4F2 (0.69) ALDH1A1RECQLCYP4F2CYP4A11POLB
SCHEMBL11964290 0.80 TP53 (0.53) ALDH1A1IDO1AGXTKDM4EMAOB
SCHEMBL1662558 0.80 CYP4F2 (0.44) ALDH1A1RECQLCYP4F2CYP4A11MAOB
SCHEMBL10982703 0.80 FFAR1 (0.56) ALDH1A1KDM4EMRGPRX4GAAFFAR1
SCHEMBL16954691 0.79 CYP4F2 (0.54) ALDH1A1RECQLCYP4F2CYP4A11MAOB
SCHEMBL5245986 0.79 CYP4F2 (0.54) ALDH1A1RECQLCYP4F2CYP4A11POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10000449-B2 Bisarylsulfonamides useful in the treatment of inflammation and cancer KANCERA AB (SE) 2018-06-19 US disclosed
EP-2794009-B1 BISARYLSULFONAMIDES USEFUL IN THE TREATMENT OF INFLAMMATION AND CANCER KANCERA AB (SE) 2017-08-30 EP disclosed
US-9718809-B2 Bisarylsulfonamides useful in the treatment of inflammation and cancer KANCERA AB (SE) 2017-08-01 US disclosed
US-20160221938-A1 BISARYLSULFONAMIDES USEFUL IN THE TREATMENT OF INFLAMMATION AND CANCER KANCERA AB (SE) 2016-08-04 US disclosed
US-20150025068-A1 BISARYLSULFONAMIDES USEFUL IN THE TREATMENT OF INFLAMMATION AND CANCER KANCERA AB (SE) 2015-01-22 US disclosed
EP-2794009-A1 BISARYLSULFONAMIDES USEFUL IN THE TREATMENT OF INFLAMMATION AND CANCER Kancera AB (SE) 2014-10-29 EP disclosed
WO-2013093095-A1 BISARYLSULFONAMIDES USEFUL IN THE TREATMENT OF INFLAMMATION AND CANCER KANCERA AB (SE) 2013-06-27 WO disclosed
US-7534794-B2 Certain arylaliphatic and heteroaryl-aliphatic piperazinyl pyrazines and their use in the treatment of serotonin-related diseases BIOVITRUM AB (SE) 2009-05-19 US disclosed
EP-1178973-B1 PYRAZINYL-PIPERAZINE- COMPOUNDS, THEIR USE AND PREPARATION BIOVITRUM AB (SE) 2005-12-21 EP disclosed
US-20040242554-A1 CERTAIN ARYLALIPHATIC AND HETEROARYL-ALIPHATIC PIPERAZINYL PYRAZINES AND THEIR USE IN THE TREATMENT OF SEROTONIN-RELATED DISEASES BIOVITRUM, AB, A STOCKHOLM, SWEDEN CORPORATION 2004-12-02 US disclosed
US-20030092694-A1 Certain arylaliphatic and heteroaryl-aliphatic piperazinyl pyrazines and their use in the treatment of serotonin-related diseases BIOVITRUM, AB, A STOCKHOLM, SWEDEN CORPORATION 2003-05-15 US disclosed
US-6465467-B1 DISEASES RELATED TO THE 5-HT2C RECEPTOR, ESPECIALLY EATING, MEMORY, MOOD, URINARY AND ANXIETY DISORDERS, SCHIZOPHRENIA, PAIN, SEXUAL DYSFUNCTIONS BIOVITRUM AB (SE) 2002-10-15 US disclosed
EP-1178973-A2 NOVEL COMPOUNDS, THEIR USE AND PREPARATION Pharmacia AB (SE) 2002-02-13 EP disclosed
WO-2000076984-A2 NOVEL COMPOUNDS, THEIR USE AND PREPARATION BIOVITRUM AB (SE) 2000-12-21 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 (5 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-20030092694-A1 Certain arylaliphatic and heteroaryl-aliphatic piperazinyl pyrazines and their use in the treatment of serotonin-related diseases HTR2C, HTR3C, HTR2A ALDH1A1 763/4885RECQL 2320/4885CYP4F2 695/4885
US-20150025068-A1 BISARYLSULFONAMIDES USEFUL IN THE TREATMENT OF INFLAMMATION AND CANCER NFKBIA, IL6, LITAF ALDH1A1 1259/4885RECQL 2452/4885CYP4F2 433/4885
US-20040242554-A1 CERTAIN ARYLALIPHATIC AND HETEROARYL-ALIPHATIC PIPERAZINYL PYRAZINES AND THEIR USE IN THE TREATMENT OF SEROTONIN-RELATED DISEASES HTR2C, HTR3C, HTR2A ALDH1A1 724/4885RECQL 2293/4885CYP4F2 694/4885
US-20160221938-A1 BISARYLSULFONAMIDES USEFUL IN THE TREATMENT OF INFLAMMATION AND CANCER NFKBIA, IL6, LITAF ALDH1A1 1305/4885RECQL 2414/4885CYP4F2 464/4885
US-10000449-B2 Bisarylsulfonamides useful in the treatment of inflammation and cancer NFKBIA, IL6, LITAF ALDH1A1 1305/4885RECQL 2414/4885CYP4F2 464/4885

“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.