SCHEMBL10136683

SCHEMBL10136683

CC(C)C(=O)c1cncc(Br)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.60
HCAR2 Q8TDS4 1/20 0.60
KDM4E B2RXH2 2/20 0.53
HTT P42858 4/20 0.53
RAB9A P51151 3/20 0.53
ALOX15 P16050 1/20 0.51
MAPT P10636 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
GAA P10253 4/20 0.48
ALDH1A1 P00352 3/20 0.48
LMNA P02545 3/20 0.48
MAPK1 P28482 2/20 0.48
HPGD P15428 1/20 0.48
ROCK2 O75116 1/20 0.46
ALOX12 P18054 1/20 0.46
ROCK1 Q13464 1/20 0.46
CASP3 P42574 1/20 0.45
PKM P14618 1/20 0.45

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
SCHEMBL13197237 0.86 KDM4E (0.47) POLBHCAR2KDM4EHTTRAB9A
SCHEMBL14764623 0.84 POLB (0.59) POLBHCAR2KDM4EHTTRAB9A
SCHEMBL27747159 0.81 POLB (0.56) POLBHCAR2KDM4EHTTRAB9A
SCHEMBL6133431 0.79 POLB (0.63) POLBHCAR2KDM4EHTTRAB9A
SCHEMBL21729381 0.78 MKNK1 (0.45) POLBHCAR2KDM4EMEN1KMT2A
SCHEMBL12599363 0.78 HCAR2 (0.62) POLBHCAR2KDM4EHTTRAB9A
SCHEMBL431067 0.78 POLB (0.67) POLBHCAR2KDM4EHTTRAB9A
SCHEMBL29419336 0.78 POLB (0.67) POLBHCAR2KDM4EHTTRAB9A
SCHEMBL6133363 0.78 POLB (0.56) POLBHCAR2KDM4EHTTRAB9A
SCHEMBL16681663 0.77 KDM4E (0.47) POLBHCAR2KDM4ERAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9846160-B2 Ganglioside GD2 as a marker and target on cancer stem cells BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEMS (US) 2017-12-19 US disclosed
US-RE43298-E1 Peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2012-04-03 US disclosed
US-20110117057-A1 NOVEL PEPTIDES AS NS3-SERINE PROTEASE INHIBITORS OF HEPATITIS C VIRUS SCHERING CORPORATION (US) 2011-05-19 US disclosed
US-7592316-B2 Peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2009-09-22 US disclosed
US-7592419-B2 Macrocyclic inhibitors of hepatitis C virus NS3-serine protease SCHERING CORPORATION (US) 2009-09-22 US disclosed
US-7449447-B2 Peptidomimetic NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2008-11-11 US disclosed
US-20070232549-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION 2007-10-04 US disclosed
US-7244721-B2 Peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2007-07-17 US disclosed
US-20070032433-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION CORVAS INTERNATIONAL, LTD. 2007-02-08 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 (3 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-20070232549-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus HPN, TMPRSS15, VIP POLB 4407/4885HCAR2 4686/4885KDM4E 2172/4885
US-20110117057-A1 NOVEL PEPTIDES AS NS3-SERINE PROTEASE INHIBITORS OF HEPATITIS C VIRUS HPN, TMPRSS15, VIP POLB 4407/4885HCAR2 4686/4885KDM4E 2172/4885
US-20070032433-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus HPN, TMPRSS15, VIP POLB 4407/4885HCAR2 4686/4885KDM4E 2172/4885

“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.