SCHEMBL1491246

SCHEMBL1491246

O=[N+]([O-])c1cc(S(=O)(=O)O)ccc1F

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 2/20 0.73
ALDH1A1 P00352 4/20 0.60
GAA P10253 3/20 0.60
MAPT P10636 3/20 0.60
NPSR1 Q6W5P4 2/20 0.60
LMNA P02545 2/20 0.60
HTT P42858 2/20 0.60
MITF O75030 1/20 0.60
TDP1 Q9NUW8 2/20 0.57
HPGD P15428 2/20 0.57
HIF1A Q16665 1/20 0.56
NSD2 O96028 1/20 0.53
PLCG1 P19174 1/20 0.53
DNMT1 P26358 1/20 0.53
CASP6 P55212 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
CA1 P00915 5/20 0.50
CA12 O43570 4/20 0.50
CA2 P00918 4/20 0.50
CA9 Q16790 4/20 0.50

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
SCHEMBL11769059 0.98 VCAM1 (0.71) VCAM1ALDH1A1GAAMAPTNPSR1
SCHEMBL27752714 0.85 TDP1 (0.58) VCAM1ALDH1A1GAAMAPTNPSR1
SCHEMBL133996 0.85 VCAM1 (1.00) VCAM1ALDH1A1GAAMAPTNPSR1
SCHEMBL6417727 0.85 VCAM1 (1.00) VCAM1ALDH1A1GAAMAPTNPSR1
SCHEMBL29510874 0.85 VCAM1 (1.00) VCAM1ALDH1A1GAAMAPTNPSR1
SCHEMBL392626 0.82 HPGD (0.62) VCAM1ALDH1A1GAALMNATDP1
SCHEMBL550564 0.81 VCAM1 (0.73) VCAM1ALDH1A1GAAMAPTNPSR1
Potassium Ion SCHEMBL11769055 0.81 VCAM1 (0.73) VCAM1ALDH1A1GAAMAPTNPSR1
SCHEMBL377111 0.81 VCAM1 (0.73) VCAM1ALDH1A1GAAMAPTNPSR1
SCHEMBL8195359 0.81 VCAM1 (0.73) VCAM1ALDH1A1GAAMAPTNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113717053-B Synthesis method of key intermediate of tyrosine kinase inhibitor 合肥利夫生物科技有限公司 2023-10-27 CN claimed
CN-113717053-A Synthesis method of key intermediate of tyrosine kinase inhibitor 合肥利夫生物科技有限公司 2021-11-30 CN claimed
CN-101381304-A Synthetic method of tricaprylin-carboxyl-<13>C3 SHANGHAI RES INST CHEMICAL IND (CN) 2009-03-11 CN claimed
CN-113717053-B Synthesis method of key intermediate of tyrosine kinase inhibitor 合肥利夫生物科技有限公司 2023-10-27 CN disclosed
CN-113717053-A Synthesis method of key intermediate of tyrosine kinase inhibitor 合肥利夫生物科技有限公司 2021-11-30 CN disclosed
WO-2019185025-A1 TRIFLUOROMETHYL-SUBSTITUTED SULFONAMIDE AS BCL-2-SELECTIVE INHIBITOR 正大天晴药业集团股份有限公司 2019-10-03 WO disclosed
US-9808527-B2 Methods and compositions for treating HIV infections PURDUE RESEARCH FOUNDATION (US) 2017-11-07 US disclosed
US-9095565-B2 Methods for treating blood disorders PHOENICIA BIOSCIENCES, INC. (US) 2015-08-04 US disclosed
US-9095565-B2 Methods for treating blood disorders PHOENICIA BIOSCIENCES, INC. (US) 2015-08-04 US disclosed
US-20140301975-A1 Methods for Treating Blood Disorders PHOENICIA BIOSCIENCES INC (US) 2014-10-09 US disclosed
US-20140301975-A1 Methods for Treating Blood Disorders PHOENICIA BIOSCIENCES INC (US) 2014-10-09 US disclosed
EP-0100300-B1 PROCESS FOR THE POST TREATMENT OF DYED CELLULOSE CONTAINING FIBROUS MATERIALS CIBA-GEIGY AG (CH) 1988-06-15 EP disclosed
EP-0177978-B1 NAPHTHOL AMINE DERIVATIVES BAYER AG (DE) 1988-04-20 EP disclosed
US-4515596-A Process for aftertreating dyed fibrous material made of or containing cellulose CIBA-GEIGY CORPORATION (US) 1985-05-07 US disclosed
EP-0100300-A2 Process for the post treatment of dyed cellulose containing fibrous materials CIBA-GEIGY AG (CH) 1984-02-08 EP disclosed
US-4051303-A RECORDING SHEET FUJI PHOTO FILM CO., LTD. (JA) 1977-09-27 US disclosed
US-4051118-A Water-soluble disazo dyestuffs containing a 3- or 4-[pyrazolylene-(1)-benzoylamino]-6-sulphophenyl moiety CIBA-GEIGY AG (CH) 1977-09-27 US disclosed
US-4049656-A POLYAMIDES AND CELLULOSE CIBA-GEIGY AG (CH) 1977-09-20 US disclosed
US-4017256-A FIBER DYEABLE WITH DISPERSE DYES AND FIBER DYEABLE WITH REACTIVE DYES CIBA-GEIGY CORPORATION (US) 1977-04-12 US disclosed
US-3951588-A Process for dyeing and printing or optical brightening of cellulose materials CIBA-GEIGY CORPORATION (US) 1976-04-20 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 (1 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-20140301975-A1 Methods for Treating Blood Disorders HBB, HBG1, HBG2 VCAM1 1431/4885ALDH1A1 642/4885GAA 181/4885

“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.