SCHEMBL2105705

SCHEMBL2105705

CCOC(=O)CC(=O)Nc1ccc(Br)cc1

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.69
MEN1 O00255 3/20 0.65
KMT2A Q03164 3/20 0.65
HPGD P15428 2/20 0.59
MAPT P10636 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.54
LMNA P02545 2/20 0.54
GAA P10253 1/20 0.54
HSD17B10 Q99714 1/20 0.54
ALDH1A1 P00352 1/20 0.54
POLB P06746 3/20 0.51
PKM P14618 1/20 0.50
TDP1 Q9NUW8 1/20 0.49

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
SCHEMBL17161342 0.86 TSHR (0.54) TSHRMEN1KMT2AHPGDMAPT
SCHEMBL8142603 0.86 TSHR (0.73) TSHRMEN1KMT2AMAPTGAA
SCHEMBL22773526 0.84 HPGD (0.61) TSHRMEN1KMT2AHPGDMAPT
SCHEMBL5206026 0.84 HPGD (0.75) MEN1KMT2AHPGDMAPTSMN1; SMN2
SCHEMBL9863064 0.83 TSHR (0.69) TSHRMEN1KMT2AHPGDMAPT
SCHEMBL16477197 0.83 TSHR (0.69) TSHRMEN1KMT2AHPGDMAPT
SCHEMBL1503956 0.83 TSHR (0.69) TSHRMEN1KMT2AHPGDMAPT
SCHEMBL680836 0.83 TSHR (0.69) TSHRMEN1KMT2AHPGDMAPT
SCHEMBL11429211 0.83 TSHR (0.69) TSHRMEN1KMT2AHPGDMAPT
SCHEMBL679125 0.83 TSHR (0.69) TSHRHPGDMAPTSMN1; SMN2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111065626-B Compounds for the treatment of huntington's disease PTC医疗公司 2024-09-27 CN disclosed
CN-111065626-A Compounds for the treatment of huntington's chorea PTC医疗公司 2020-04-24 CN disclosed
EP-2780026-B1 HCV NS3 PROTEASE INHIBITORS MERCK SHARP & DOHME (US) 2019-10-23 EP disclosed
EP-2780026-B1 HCV NS3 PROTEASE INHIBITORS MERCK SHARP & DOHME (US) 2019-10-23 EP disclosed
US-9328138-B2 HCV NS3 protease inhibitors MSD ITALIA S.R.L. (IT) 2016-05-03 US disclosed
US-9328138-B2 HCV NS3 protease inhibitors MSD ITALIA S.R.L. (IT) 2016-05-03 US disclosed
US-20140296136-A1 HCV NS3 PROTEASE INHIBITORS MERCK SHARP & DOHME LLC 2014-10-02 US disclosed
US-20140296136-A1 HCV NS3 PROTEASE INHIBITORS MERCK SHARP & DOHME LLC 2014-10-02 US disclosed
EP-2780026-A2 HCV NS3 PROTEASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2014-09-24 EP disclosed
WO-2013074386-A2 HCV NS3 PROTEASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2013-05-23 WO disclosed
WO-2013074386-A2 HCV NS3 PROTEASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2013-05-23 WO disclosed
US-8163749-B2 Six-membered heterocycles useful as serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-04-24 US disclosed
US-20090181983-A1 SIX-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL -MEYERS SQUIBB COMPANY 2009-07-16 US disclosed
US-4736056-A Process for the production of malonic acid derivative compounds UNION CARBIDE AGRICULTURAL PRODUCTS COMPANY, INC., T.W. ALEXANDER DR., RESEARCH TRIANGLE PARK, NC. A CORP. OF PA. 1988-04-05 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 (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-20140296136-A1 HCV NS3 PROTEASE INHIBITORS HAVCR2, GTF3C3, CTSC TSHR 4610/4885MEN1 4761/4885KMT2A 3629/4885
US-20090181983-A1 SIX-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS TFPI, F11, F12 TSHR 2065/4885MEN1 764/4885KMT2A 2045/4885

“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.