SCHEMBL459271

SCHEMBL459271

C1CCC(OC2CCCCO2)OC1.OCCCBr

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.39
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
LMNA P02545 1/20 0.30
POLB P06746 1/20 0.30

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
SCHEMBL6908302 0.93 MEN1 (0.38) TSHRMEN1KMT2A
SCHEMBL10765977 0.93 MEN1 (0.38) TSHRMEN1KMT2A
SCHEMBL28323877 0.93 MEN1 (0.38) TSHRMEN1KMT2A
2-Bromoethanol SCHEMBL3055303 0.91 MEN1 (0.33) MEN1KMT2A
SCHEMBL9661524 0.81 MEN1 (0.36) MEN1KMT2A
SCHEMBL11818110 0.81 MEN1 (0.33) MEN1KMT2A
SCHEMBL9879608 0.80 KMT2A (0.51) TSHRMEN1KMT2APOLB
SCHEMBL8645521 0.80 KMT2A (0.51) TSHRMEN1KMT2APOLB
SCHEMBL11263233 0.78 MEN1 (0.33) MEN1KMT2A
SCHEMBL28813769 0.78 MEN1 (0.33) MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2614050-B1 1,5-DIARYL-2-ALKYLPYRROLE-3-SUBSTITUTED NITRO ESTERS, SELECTIVE COX-2 INHIBITORS AND NITRIC OXIDE DONORS Rottapharm Biotech Srl (IT) 2016-01-20 EP disclosed
US-9162979-B2 1,5-Diary1-2-alkylpyrrole-3-substituted nitro esters, selective COX-2 inhibitors and nitric oxide donors ROTTAPHARM BIOTECH S.R.L. (IT) 2015-10-20 US disclosed
EP-2614050-A1 1,5-DIARYL-2-ALKYLPYRROLE-3-SUBSTITUTED NITRO ESTERS, SELECTIVE COX-2 INHIBITORS AND NITRIC OXIDE DONORS Rottapharm S.p.A. (IT) 2013-07-17 EP disclosed
US-20130165494-A1 1,5-Diaryl-2-alkylpyrrole-3-Substituted Nitro Esters, Selective COX-2 Inhibitors and Nitric Oxide Donors ROTTAPHARM S.P.A. (IT) 2013-06-27 US disclosed
WO-2012032479-A1 L,5-DIARYL-2-ALKVLPVRROLE-3-SUBSTITUTED NITRO ESTERS, SELECTIVE COX-2 INHIBITORS AND NITRIC OXIDE DONORS ROTTAPHARM S.P.A. (IT) 2012-03-15 WO disclosed
US-20100222363-A1 Bicyclic Derivatives as P38 Inhibitors PALAU PHARMA, S.A. (ES) 2010-09-02 US disclosed
EP-1907358-A2 BICYCLIC DERIVATIVES AS P38 KINASE INHIBITORS Palau Pharma, S.A. (ES) 2008-04-09 EP disclosed
WO-2007000340-A2 BICYCLIC DERIVATIVES AS P38 KINASE INHIBITORS PALAU PHARMA, S.A. (ES) 2007-01-04 WO disclosed
CN-1199960-C Agarofuran derivatives, their preparing process, medicinal composition containing them and their medicinal usage MEDICAL MATERIAL INST CHINESE (CN) 2005-05-04 CN disclosed
CN-1322525-A Dehydrogenated falcate micromelum costusic alcohol derivative as medicine for preventing or treating cerebral retrogressive lesion INST OF PHARMACOLOGY CHINESE A (CN) 2001-11-21 CN disclosed
CN-1254713-A Agarofuran derivatives, their preparing process, medicinal composition containing them and their medicinal usage MEDICAL MATERIAL INST CHINESE (CN) 2000-05-31 CN disclosed
EP-0171251-B2 QUINONE DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1992-12-23 EP disclosed
EP-0171251-A2 Quinone derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1986-02-12 EP 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-20100222363-A1 Bicyclic Derivatives as P38 Inhibitors MAPK1, MAPKAPK2, MAPK7 TSHR 3973/4885MEN1 4549/4885KMT2A 3609/4885
US-20130165494-A1 1,5-Diaryl-2-alkylpyrrole-3-Substituted Nitro Esters, Selective COX-2 Inhibitors and Nitric Oxide Donors NOS3, PTGER3, PTGES3 TSHR 903/4885MEN1 3128/4885KMT2A 977/4885

“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.