SCHEMBL28463

SCHEMBL28463

[NH]S(=O)(=O)c1cccc2ccccc12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.63
CA2 P00918 1/20 0.63
CA9 Q16790 1/20 0.63
F2 P00734 3/20 0.52
PRSS1 P07477 3/20 0.52
PRSS2 P07478 3/20 0.52
PRSS3 P35030 3/20 0.52
HTR6 P50406 2/20 0.52
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
TSHR P16473 2/20 0.49
HCRTR1 O43613 1/20 0.46
AKR1B1 P15121 1/20 0.45
SCN1A P35498 2/20 0.44
SCN2A Q99250 2/20 0.44
SCN3A Q9NY46 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44

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
SCHEMBL5010791 0.88 HPRT1 (0.54) CA1CA2CA9F2PRSS1
SCHEMBL29965319 0.81 CA1 (0.68) CA1CA2CA9F2PRSS1
SCHEMBL3071825 0.81 CA1 (0.68) CA1CA2CA9F2PRSS1
SCHEMBL547461 0.81 CA1 (0.68) CA1CA2CA9F2PRSS1
SCHEMBL5008290 0.81 ALDH1A1 (0.43) CA1CA2CA9F2PRSS1
Water SCHEMBL4291375 0.80 CA1 (0.61) CA1CA2CA9F2PRSS1
Water SCHEMBL8193333 0.80 CA1 (0.61) CA1CA2CA9F2PRSS1
Water SCHEMBL27657904 0.80 CA1 (0.61) CA1CA2CA9F2PRSS1
Water SCHEMBL11359521 0.80 CA1 (0.61) CA1CA2CA9F2PRSS1
SCHEMBL7175789 0.79 CA1 (0.65) CA1CA2CA9F2PRSS1

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 1471 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023067170-A1 COMPOUNDS FOR THE TREATMENT OF MALARIA FUNDACIÓ INSTITUT DE BIOENGINYERIA DE CATALUNYA (ES) 2023-04-27 WO claimed
EP-1790639-B1 SPIROCYCLIC COMPOUNDS AND THEIR USE AS CXCR4-ANTAGONISTS ONO PHARMACEUTICAL CO (JP) 2014-03-26 EP claimed
EP-2049502-B1 2,4-SUBSTITUTED QUINAZOLINES AS LIPID KINASE INHIBITORS NOVARTIS AG (CH) 2012-01-04 EP claimed
JP-4838934-B2 2011-12-14 JP claimed
US-8053457-B2 3-imidazolyl-indoles for the treatment of proliferative diseases NOVARTIS AG (CH) 2011-11-08 US claimed
US-7951816-B2 Compound containing basic group and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2011-05-31 US claimed
JP-4642242-B2 2011-03-02 JP claimed
US-20100305113-A1 Substituted Imidazopyridazines as Lipid Kinase Inhibitors CAPRARO HANS-GEORG 2010-12-02 US claimed
EP-1863477-B1 3,4-SUBSTITUTED PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF HYPERTENSION NOVARTIS AG (CH) 2010-11-03 EP claimed
EP-1836163-B1 PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF A DISEASE DEPENDING ON THE ACTIVITY OF RENIN NOVARTIS AG (CH) 2010-09-22 EP claimed
US-4582897-A 2-AZO-4-SULFO-4-METHYLDIPHENYL SULFONE DERIVATIVES CIBA-GEIGY CORPORATION (US) 1986-04-15 US claimed
EP-0042357-B1 AZO DYES, THEIR PREPARATION AND USE CIBA-GEIGY AG (CH) 1984-06-06 EP claimed
US-4406875-A Radiolabeled amine compounds and their use BYK-MALLINCKRODT CIL B.V. (NL) 1983-09-27 US claimed
EP-0042357-A2 Azo dyes, their preparation and use CIBA-GEIGY AG (CH) 1981-12-23 EP claimed
US-4292238-A Alkylation of benzthiazole-azo-phenylamine dyestuffs BAYER AKTIENGESELLSCHAFT (DE) 1981-09-29 US claimed
WO-1980001685-A1 RADIOLABELED AMINE COMPOUNDS AND THEIR USE BYK MALLINCKRODT CIL BV (NL) 1980-08-21 WO claimed
US-4146541-A YELLOW SHADE ON POLYESTERS CIBA-GEIGY AG (CH) 1979-03-27 US claimed
US-4021428-A 4-Piperidino-5-oxo-2-pyrazolines FUJI PHOTO FILM CO., LTD. (JA) 1977-05-03 US claimed
US-3996208-A PENICILLINS CIBA-GEIGY CORPORATION (US) 1976-12-07 US claimed
US-3956339-A 4-Pyridinio-5-pyrazolone salts, process for their preparation and their use FUJI PHOTO FILM CO., LTD. (JA) 1976-05-11 US claimed

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-20100305113-A1 Substituted Imidazopyridazines as Lipid Kinase Inhibitors PI4KA, PIK3CA, PIK3CB CA1 4176/4885CA2 1974/4885CA9 4243/4885

“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.