SCHEMBL12569388

SCHEMBL12569388

Cc1cccc(CC(=O)N(C)C)c1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTBP2 P56545 1/20 0.54
POLB P06746 1/20 0.53
LTB4R Q15722 2/20 0.46
LTB4R2 Q9NPC1 2/20 0.46
NPC1 O15118 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
PARP1 P09874 1/20 0.46
ALDH1A1 P00352 2/20 0.44
JAK2 O60674 1/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44
PAX8 Q06710 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44
CASP3 P42574 1/20 0.43
CASP7 P55210 1/20 0.43
PKM P14618 1/20 0.43
MAPK8 P45983 1/20 0.43
HSP90AA1 P07900 1/20 0.43
MAOB P27338 1/20 0.43

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
SCHEMBL1058423 0.84 CTBP2 (0.50) CTBP2POLBLTB4RLTB4R2NPC1
SCHEMBL16977256 0.84 CTBP2 (0.53) CTBP2POLBLTB4RLTB4R2NPC1
SCHEMBL24732318 0.82 TAAR1 (0.50) CTBP2LTB4RLTB4R2NPC1L3MBTL1
SCHEMBL14679134 0.82 LTB4R (0.53) CTBP2POLBLTB4RLTB4R2NPC1
SCHEMBL20349603 0.82 ALDH1A1 (0.52) CTBP2POLBLTB4RLTB4R2NPC1
SCHEMBL12499797 0.81 CTBP2 (0.51) CTBP2LTB4RLTB4R2PARP1TAAR1
SCHEMBL7128013 0.81 PARP1 (0.46) LTB4RLTB4R2L3MBTL1PARP1HTT
SCHEMBL2404441 0.80 NPC1 (0.52) CTBP2POLBNPC1
SCHEMBL29635163 0.80 CTBP2 (0.61) CTBP2POLBNPC1L3MBTL1ALDH1A1
SCHEMBL7073775 0.80 CTBP2 (0.61) CTBP2POLBNPC1L3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220177443-A1 SMALL MOLECULE DEGRADERS OF HELIOS AND METHODS OF USE DANA-FARBER CANCER INSTITUTE, INC. (US) 2022-06-09 US disclosed
US-9481670-B2 Triazine compounds SPHAERA PHARMA PTE. LTD. (SG) 2016-11-01 US disclosed
US-8987242-B2 Morpholinone compounds as factor IXA inhibitors MERCK SHARP & DOHME CORP. (US) 2015-03-24 US disclosed
US-20130303516-A1 NOVEL TRIAZINE COMPOUNDS SPHAERA PHARMA PTE. LTD. (SG) 2013-11-14 US disclosed
EP-1523473-B1 INDOLINE DERIVATIVES SUBSTITUTED IN POSITION 6, PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA (DE) 2013-02-27 EP disclosed
US-20110135650-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MERCK SHARP & DOHME LLC 2011-06-09 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-20220177443-A1 SMALL MOLECULE DEGRADERS OF HELIOS AND METHODS OF USE IKZF2, IKZF1, IKZF3 CTBP2 406/4885POLB 1152/4885LTB4R 4744/4885
US-20110135650-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS SERPINC1, F9, F8 CTBP2 4242/4885POLB 1979/4885LTB4R 2704/4885
US-20130303516-A1 NOVEL TRIAZINE COMPOUNDS MTOR, MAPKAP1, PIK3R5 CTBP2 2738/4885POLB 1813/4885LTB4R 3469/4885

“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.