SCHEMBL2268248

SCHEMBL2268248

CC(C)(NC(=O)OCc1ccccc1)C(N)=O

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
ALDH1A1 P00352 2/20 0.54
CA12 O43570 2/20 0.51
CA1 P00915 2/20 0.51
CA2 P00918 2/20 0.51
CA9 Q16790 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
CTSS P25774 1/20 0.49
LMNA P02545 2/20 0.49
TSHR P16473 1/20 0.48
PLAU P00749 1/20 0.47
TP53 P04637 1/20 0.47
MAPT P10636 1/20 0.47
POLB P06746 1/20 0.47
HTT P42858 1/20 0.47
SYK P43405 1/20 0.46

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
Trifluoroacetic Acid SCHEMBL6925459 0.93 MEN1 (0.55) MEN1KMT2AALDH1A1CA12CA1
SCHEMBL8267137 0.88 MEN1 (0.50) MEN1KMT2AALDH1A1CA12CA1
SCHEMBL1150661 0.88 MEN1 (0.50) MEN1KMT2AALDH1A1CA12CA1
SCHEMBL1150660 0.88 MEN1 (0.50) MEN1KMT2AALDH1A1CA12CA1
SCHEMBL3277964 0.88 MEN1 (0.52) MEN1KMT2AALDH1A1CA12CA1
SCHEMBL12590895 0.88 MEN1 (0.52) MEN1KMT2AALDH1A1CA12CA1
SCHEMBL503402 0.87 MEN1 (0.57) MEN1KMT2AALDH1A1CA12CA1
SCHEMBL10349980 0.87 ALDH1A1 (0.58) MEN1KMT2AALDH1A1CA12CA1
Hydrochloric Acid SCHEMBL3277959 0.87 MEN1 (0.51) MEN1KMT2AALDH1A1CA12CA1
SCHEMBL6444094 0.86 MEN1 (0.56) MEN1KMT2AALDH1A1CA12CA1

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 42 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3231798-A1 THIAZOLE INTERMEDIATES USEFUL IN THE PREPARATION OF RAF KINASE INHIBITORS Sunesis Pharmaceuticals, Inc. (US) 2017-10-18 EP disclosed
EP-2167489-B1 PYRIMIDINE DERIVATIVES USEFUL AS RAF KINASE INHIBITORS SUNESIS PHARMACEUTICALS INC (US) 2017-05-03 EP disclosed
WO-2016137832-A1 NOVEL COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL-MYERS SQUIBB COMPANY (US) 2016-09-01 WO disclosed
EP-1724278-B1 NITROGENOUS FUSED-RING DERIVATIVES, MEDICINAL COMPOSITIONS CONTAINING THE DERIVATIVES, AND USE THEREOF AS DRUGS KISSEI PHARMACEUTICAL (JP) 2014-05-07 EP disclosed
US-20140045890-A1 NOVEL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2014-02-13 US disclosed
US-20140045890-A1 NOVEL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2014-02-13 US disclosed
EP-2691386-A1 QUINOLINE DERIVATIVES AS FUNGICIDES Syngenta Participations AG (CH) 2014-02-05 EP disclosed
CN-103429584-A Quinoline derivatives as fungicides SYNGENTA PARTICIPATIONS AG 2013-12-04 CN disclosed
US-8324176-B2 Pyrazole derivatives, medicinal composition containing the same, medicinal use thereof, and intermediate for production thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-12-04 US disclosed
US-8293752-B2 Compounds useful as Raf kinase inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-10-23 US disclosed
EP-1544208-A1 PYRAZOLE DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, MEDICINAL USE THEREOF, AND INTERMEDIATE FOR PRODUCTION THEREOF Kissei Pharmaceutical Co., Ltd. (JP) 2005-06-22 EP disclosed
EP-1347784-A2 SIMULTANEOUS DUAL ISOTOPE IMAGING OF CARDIAC PERFUSION AND CARDIAC INFLAMMATION Bristol-Myers Squibb Pharma Company (US) 2003-10-01 EP disclosed
EP-1224180-B1 SUBSTITUTED AZOLES NOVARTIS AG (CH) 2003-07-02 EP disclosed
US-6579874-B2 P38 MAP kinase inhibitors; treating Tumor necrosis factor (TNF-alpha) and Interleukin-1 mediated diseases, such as rheumatoid arthritis; imidazole and oxazole derivatives NOVARTIS AG (CH) 2003-06-17 US disclosed
EP-1224180-A2 SUBSTITUTED AZOLES Novartis AG (CH) 2002-07-24 EP disclosed
WO-2002036173-A2 SIMULTANEOUS DUAL ISOTOPE IMAGING OF CARDIAC PERFUSION AND CARDIAC INFLAMMATION BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2002-05-10 WO disclosed
US-20020049220-A1 Substituted azoles NOVARTIS AG (CH) 2002-04-25 US disclosed
WO-2000063204-A2 SUBSTITUTED AZOLES NOVARTIS AG (CH) 2000-10-26 WO disclosed
EP-0999856-A2 RADIOPHARMACEUTICALS FOR IMAGING INFECTION AND INFLAMMATION Du Pont Pharmaceuticals Company (US) 2000-05-17 EP disclosed
WO-1998015295-A2 RADIOPHARMACEUTICALS FOR IMAGING INFECTION AND INFLAMMATION DUPONT PHARMACEUTICALS COMPANY (US) 1998-04-16 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-20020049220-A1 Substituted azoles MAPK1, MAPK4, MAP3K1 MEN1 1518/4885KMT2A 1716/4885ALDH1A1 399/4885
US-20140045890-A1 NOVEL COMPOUNDS CYP1B1, CYP1A1, CYP51A1 MEN1 152/4885KMT2A 3332/4885ALDH1A1 248/4885

“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.