SCHEMBL315425

SCHEMBL315425

CCOc1[c]cc(S(C)(=O)=O)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
PTGS2 P35354 2/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
ALDH1A1 P00352 2/20 0.38
LMNA P02545 2/20 0.36
MAPK1 P28482 1/20 0.36
ENPP2 Q13822 1/20 0.35
GAA P10253 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
DRD1 P21728 1/20 0.33
LOX P28300 1/20 0.33
MEN1 O00255 1/20 0.33

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
SCHEMBL7043598 0.84 CA12 (0.40) CA12CA1CA2CA7CA9
SCHEMBL27599769 0.82 TSHR (0.41) CA12CA1CA2CA7CA9
SCHEMBL19639038 0.81 BRD4 (0.35) CA12CA1CA2CA7CA9
SCHEMBL5616669 0.80 PTGS2 (0.44) PTGS2DRD1
SCHEMBL15652632 0.80 SMN1; SMN2 (0.42) CA12CA1CA2CA7CA9
SCHEMBL1097336 0.79 SMN1; SMN2 (0.43) PTGS2SMN1; SMN2MAPK1ENPP2PKM
SCHEMBL28549292 0.78 BRD4 (0.38) PTGS2
SCHEMBL19639074 0.75 PTGS2 (0.39) PTGS2SMN1; SMN2ALDH1A1ENPP2LOX
SCHEMBL28543000 0.75 PTGS2 (0.40) PTGS2DRD1
SCHEMBL28535152 0.75 NUDT1 (0.35) PTGS2ENPP2DRD1

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-10150767-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2018-12-11 US claimed
US-20170342067-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-11-30 US claimed
EP-3218374-A1 SUBSTITUTED PYRROLOPYRIDINES AS INHIBITORS OF BROMODOMAIN Genentech, Inc. (US) 2017-09-20 EP claimed
WO-2016077380-A1 SUBSTITUTED PYRROLOPYRIDINES AS INHIBITORS OF BROMODOMAIN GENENTECH, INC. (US) 2016-05-19 WO claimed
EP-3218374-B1 SUBSTITUTED PYRROLOPYRIDINES AS INHIBITORS OF BROMODOMAIN GENENTECH INC (US) 2021-12-29 EP disclosed
CN-107108614-B Substituted pyrrolopyridines as bromodomain inhibitors 基因泰克公司 2021-06-01 CN disclosed
US-10150767-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2018-12-11 US disclosed
US-20170342067-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-11-30 US disclosed
EP-3218374-A1 SUBSTITUTED PYRROLOPYRIDINES AS INHIBITORS OF BROMODOMAIN Genentech, Inc. (US) 2017-09-20 EP disclosed
WO-2016077380-A1 SUBSTITUTED PYRROLOPYRIDINES AS INHIBITORS OF BROMODOMAIN GENENTECH, INC. (US) 2016-05-19 WO disclosed
US-8093400-B2 Compounds useful in therapy PFIZER INC. (US) 2012-01-10 US disclosed
US-20100317652-A1 Compounds Useful In Therapy PFIZER INC 2010-12-16 US disclosed
US-7745630-B2 Triazolyl piperidine arginine vasopressin receptor modulators BRYANS JUSTIN STEPHEN 2010-06-29 US disclosed
US-20050154024-A1 Compounds useful in therapy PFIZER INC 2005-07-14 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 (4 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-20050154024-A1 Compounds useful in therapy PTGER4, PTGER3, ALOX5 CA12 4124/4885CA1 3885/4885CA2 4135/4885
US-20170342067-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF BRD4, BRDT, BRPF3 CA12 2309/4885CA1 1499/4885CA2 1648/4885
US-10150767-B2 Therapeutic compounds and uses thereof BRD4, BRDT, BRPF3 CA12 2309/4885CA1 1499/4885CA2 1648/4885
US-20100317652-A1 Compounds Useful In Therapy AVPR1A, AVPR1B, AVPR2 CA12 3814/4885CA1 2197/4885CA2 935/4885

“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.