SCHEMBL1782470

SCHEMBL1782470

COC(SC(OC)c1ccccc1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.40
IDO1 P14902 2/20 0.38
TDO2 P48775 2/20 0.38
EPHX1 P07099 1/20 0.38
THRB P10828 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ALDH1A1 P00352 1/20 0.37
MAPK1 P28482 2/20 0.36
DPP4 P27487 2/20 0.36
F2 P00734 1/20 0.36
TSHR P16473 1/20 0.36
CA4 P22748 1/20 0.36
TAAR1 Q96RJ0 1/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
PMP22 Q01453 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HTR2A P28223 1/20 0.34
HRH1 P35367 1/20 0.34

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
SCHEMBL6651178 1.00 KMT2A (0.40) KMT2AIDO1TDO2EPHX1THRB
SCHEMBL31499299 0.85 KMT2A (0.40) KMT2AIDO1TDO2EPHX1THRB
SCHEMBL5503227 0.81 KMT2A (0.38) KMT2AIDO1TDO2EPHX1THRB
SCHEMBL546542 0.81 KMT2A (0.38) KMT2AIDO1TDO2EPHX1THRB
SCHEMBL8932556 0.79 TAAR1 (0.50) TSHRTAAR1KDM4ELMNAPMP22
SCHEMBL24002249 0.78 THRB (0.38) KMT2AEPHX1THRBALDH1A1TAAR1
SCHEMBL28931191 0.75 IDO1 (0.48) IDO1TDO2DPP4F2TAAR1
SCHEMBL20054801 0.74 KMT2A (0.46) KMT2AALDH1A1MAPK1TSHRLMNA
SCHEMBL24243366 0.74 LMNA (0.36) KMT2AEPHX1THRBTDP1ALDH1A1
Methylene Chloride SCHEMBL28192145 0.74 KMT2A (0.33) KMT2AEPHX1THRBTDP1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2197551-B1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS MERCK SHARP & DOHME (US) 2016-12-28 EP disclosed
US-8586020-B2 Poly(organophosphazene) composition for biomaterials KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2013-11-19 US disclosed
US-8455638-B2 Soluble guanylate cyclase activators MERCK SHARP & DOHME CORP. (US) 2013-06-04 US disclosed
US-20110118282-A1 Soluble Guanylate Cyclase Activators MERCK SHARP & DOHME LLC 2011-05-19 US disclosed
EP-2197551-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS Merck Sharp & Dohme Corp. (US) 2010-06-23 EP disclosed
EP-2125727-A1 STABLE S-NITROSOTHIOLS, METHOD OF SYNTHESIS AND USE LACER, S.A. (ES) 2009-12-02 EP disclosed
US-20090209556-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS MERCK SHARP & DOHME CORP. 2009-08-20 US disclosed
WO-2009032249-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS MERCK & CO., INC. (US) 2009-03-12 WO disclosed
WO-2008080934-A1 STABLE S-NITROSOTHIOLS, METHOD OF SYNTHESIS AND USE LÁCER, S.A. (ES) 2008-07-10 WO disclosed
EP-1648880-A1 THERAPEUTIC AGENTS USEFUL FOR TREATING PAIN Euro-Celtique S.A. (LU) 2006-04-26 EP disclosed
WO-2005012287-A1 THERAPEUTIC AGENTS USEFUL FOR TREATING PAIN EURO-CELTIQUE S.A. (LU) 2005-02-10 WO disclosed
EP-0873123-A4 INHIBITORS OF PROTEIN ISOPRENYL TRANSFERASES UNIV PITTSBURGH (US) 1999-02-03 EP disclosed
EP-0873123-A1 INHIBITORS OF PROTEIN ISOPRENYL TRANSFERASES UNIVERSITY OF PITTSBURGH (US) 1998-10-28 EP disclosed
WO-1997017070-A1 INHIBITORS OF PROTEIN ISOPRENYL TRANSFERASES UNIVERSITY OF PITTSBURGH (US) 1997-05-15 WO disclosed
WO-1996014873-A2 COVALENTLY BOUND β-GLUCAN CONJUGATES IN TARGETED DELIVERY SRI INTERNATIONAL (US) 1996-05-23 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-20110118282-A1 Soluble Guanylate Cyclase Activators GUCY1B1, GUCY1A2, GUCY1A1 KMT2A 4012/4885IDO1 4346/4885TDO2 4662/4885
US-20090209556-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS GUCY1B1, GUCY1A2, GUCY1A1 KMT2A 4012/4885IDO1 4346/4885TDO2 4662/4885

“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.