SCHEMBL2011206

SCHEMBL2011206

O=C(O)c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 19/20 1.00
AKR1C1 Q04828 5/20 1.00
ALDH1A1 P00352 1/20 0.82
MEN1 O00255 1/20 0.79
KMT2A Q03164 1/20 0.79

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
SCHEMBL30819658 1.00 AKR1C3 (1.00) AKR1C3AKR1C1ALDH1A1MEN1KMT2A
SCHEMBL14943437 0.88 AKR1C3 (0.79) AKR1C3AKR1C1ALDH1A1MEN1KMT2A
SCHEMBL3280649 0.85 AKR1C3 (0.76) AKR1C3AKR1C1MEN1KMT2A
SCHEMBL4239496 0.85 AKR1C3 (0.76) AKR1C3AKR1C1ALDH1A1MEN1KMT2A
SCHEMBL12401136 0.85 AKR1C3 (0.74) AKR1C3AKR1C1ALDH1A1MEN1KMT2A
SCHEMBL21067755 0.83 PPARG (1.00) AKR1C3AKR1C1MEN1KMT2A
SCHEMBL693455 0.83 KMT2A (1.00) AKR1C3AKR1C1ALDH1A1MEN1KMT2A
Thiophene Carboxylic Acid SCHEMBL29135076 0.82 AKR1C3 (0.77) AKR1C3AKR1C1ALDH1A1MEN1KMT2A
SCHEMBL3287776 0.79 AKR1C3 (0.66) AKR1C3AKR1C1
SCHEMBL663840 0.79 AKR1C3 (1.00) AKR1C3AKR1C1ALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11215617-B2 Treatment of metastatic prostate cancer THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2022-01-04 US disclosed
EP-3062808-B1 TREATMENT OF METASTATIC PROSTATE CANCER UNIV CALIFORNIA (US) 2021-09-29 EP disclosed
US-20200041516-A1 TREATMENT OF METASTATIC PROSTATE CANCER THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2020-02-06 US disclosed
US-20170315127-A1 TREATMENT OF METASTATIC PROSTATE CANCER THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-11-02 US disclosed
EP-3062808-A1 TREATMENT OF METASTATIC PROSTATE CANCER The Regents of the University of California (US) 2016-09-07 EP disclosed
WO-2015065919-A1 TREATMENT OF METASTATIC PROSTATE CANCER THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-05-07 WO disclosed
EP-2366704-B1 Inhibitors of serine proteases VERTEX PHARMA (US) 2013-10-23 EP disclosed
EP-2631238-A1 Spirocyclic inhibitors of serine proteases for the treatment of hcv infections VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-08-28 EP disclosed
US-8440706-B2 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-05-14 US disclosed
US-8372873-B2 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-02-12 US disclosed
EP-1917269-B1 INHIBITORS OF SERINE PROTEASES VERTEX PHARMA (US) 2011-10-26 EP disclosed
EP-2366704-A1 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-09-21 EP disclosed
US-20110182856-A1 INHIBITORS OF SERINE PROTEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-28 US disclosed
US-7985762-B2 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-26 US disclosed
US-20110165120-A1 INHIBITORS OF SERINE PROTEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-07 US disclosed
US-7964624-B1 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-06-21 US disclosed
US-20070179167-A1 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED 2007-08-02 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 (6 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-11215617-B2 Treatment of metastatic prostate cancer AR, AKR1C3, AKR1C4 AKR1C3 2/4885AKR1C1 5/4885ALDH1A1 154/4885
US-20170315127-A1 TREATMENT OF METASTATIC PROSTATE CANCER AR, AKR1C3, AKR1C4 AKR1C3 2/4885AKR1C1 5/4885ALDH1A1 154/4885
US-20110165120-A1 INHIBITORS OF SERINE PROTEASES PRSS1, PRSS3, PRSS2 AKR1C3 2474/4885AKR1C1 2859/4885ALDH1A1 1374/4885
US-20070179167-A1 Inhibitors of serine proteases PRSS1, PRSS3, PRSS2 AKR1C3 2474/4885AKR1C1 2859/4885ALDH1A1 1374/4885
US-20200041516-A1 TREATMENT OF METASTATIC PROSTATE CANCER AR, AKR1C3, AKR1C4 AKR1C3 2/4885AKR1C1 5/4885ALDH1A1 154/4885
US-20110182856-A1 INHIBITORS OF SERINE PROTEASES PRSS1, SPINT2, PRSS2 AKR1C3 2282/4885AKR1C1 2653/4885ALDH1A1 1255/4885

“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.