SCHEMBL4348248

SCHEMBL4348248

CC(=O)Oc1ccc(S(=O)(=O)Cl)cc1C

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.52
PKM P14618 2/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
ACHE P22303 1/20 0.41
ALDH1A1 P00352 3/20 0.41
TSHR P16473 2/20 0.41
GAA P10253 2/20 0.41
KDM4E B2RXH2 1/20 0.41
RAB9A P51151 1/20 0.41
HTT P42858 3/20 0.41
LMNA P02545 2/20 0.40
CFD P00746 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
APEX1 P27695 1/20 0.39
MEN1 O00255 1/20 0.39
PIM1 P11309 1/20 0.38
ALDH3A1 P30838 1/20 0.37
USP2 O75604 1/20 0.37

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
SCHEMBL9299723 0.86 TSHR (0.51) KMT2APKMPOLBMAPTALDH1A1
SCHEMBL3365090 0.82 TSHR (0.51) KMT2APKMPOLBMAPTALDH1A1
SCHEMBL9660880 0.81 KMT2A (0.57) KMT2APKMPOLBMAPTTSHR
SCHEMBL7019067 0.80 APEX1 (0.47) KMT2AALDH1A1TSHRGAAKDM4E
SCHEMBL27608494 0.79 HTT (0.44) KMT2AALDH1A1TSHRKDM4EHTT
SCHEMBL27608499 0.79 TSHR (0.40) KMT2APOLBMAPTALDH1A1TSHR
SCHEMBL739939 0.79 LMNA (0.55) KMT2APOLBMAPTALDH1A1TSHR
SCHEMBL9787566 0.79 CA12 (0.46) KMT2APKMPOLBMAPTALDH1A1
SCHEMBL4004421 0.76 APEX1 (0.60) APEX1
SCHEMBL132336 0.75 TSHR (0.56) KMT2AMAPTACHEALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8455497-B2 Inhibitors of aspartyl protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-06-04 US disclosed
US-8455497-B2 Inhibitors of aspartyl protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-06-04 US disclosed
US-8455497-B2 Inhibitors of aspartyl protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-06-04 US disclosed
US-20090274650-A1 INHIBITORS OF ASPARTYL PROTEASE VERTEX PHARMACEUTICALS INCORPORATED 2009-11-05 US disclosed
US-20090274650-A1 INHIBITORS OF ASPARTYL PROTEASE VERTEX PHARMACEUTICALS INCORPORATED 2009-11-05 US disclosed
US-20090274650-A1 INHIBITORS OF ASPARTYL PROTEASE VERTEX PHARMACEUTICALS INCORPORATED 2009-11-05 US disclosed
CN-100516034-C Aspartyl protease inhibitors VERTEX PHARMA CO LTD (US) 2009-07-22 CN disclosed
CN-101245058-A Inhibitors of aspartyl protease VERTEX PHARMA (US) 2008-08-20 CN disclosed
EP-1686113-A1 Inhibitors of aspartyl protease Vertex Pharmaceuticals Incorporated (US) 2006-08-02 EP disclosed
EP-1194404-B1 INHIBITORS OF ASPARTYL PROTEASE VERTEX PHARMA (US) 2006-05-03 EP disclosed
US-6878728-B1 Inhibitors of aspartyl protease VERTEX PHARMACEUTICAL INCORPORATED (US) 2005-04-12 US disclosed
US-20040122000-A1 Inhibitors of aspartyl protease VERTEX PHARMACEUTICALS INCORPORATED. 2004-06-24 US disclosed
CN-1361765-A Aspartyl protease inhibitors VERTEX PHARMA (US) 2002-07-31 CN disclosed
EP-1194404-A1 INHIBITORS OF ASPARTYL PROTEASE Vertex Pharmaceuticals Incorporated (US) 2002-04-10 EP disclosed
WO-2000076961-A1 INHIBITORS OF ASPARTYL PROTEASE VERTEX PHARMACEUTICALS INCORPORATED (US) 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 (2 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-20040122000-A1 Inhibitors of aspartyl protease SPINT2, DNPEP, PRSS1 KMT2A 864/4885PKM 2752/4885POLB 1832/4885
US-20090274650-A1 INHIBITORS OF ASPARTYL PROTEASE SPINT2, DNPEP, PRSS1 KMT2A 864/4885PKM 2752/4885POLB 1832/4885

“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.