SCHEMBL6920447

SCHEMBL6920447

c1csc(C2COCCO2)c1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.37
HTT P42858 2/20 0.37
TSHR P16473 1/20 0.37
ALDH1A1 P00352 3/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPT P10636 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
LMNA P02545 1/20 0.33
PKM P14618 1/20 0.33
GAA P10253 3/20 0.33
POLB P06746 2/20 0.33
HPGD P15428 1/20 0.32
MAPK1 P28482 1/20 0.31

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
SCHEMBL19354579 0.84
SCHEMBL1522730 0.84
SCHEMBL19690771 0.80
SCHEMBL2044222 0.76 SMN1; SMN2 (0.43) KDM4EHTTTSHRALDH1A1MEN1
SCHEMBL28181487 0.74 SMN1; SMN2 (0.42) KDM4EHTTTSHRALDH1A1MEN1
SCHEMBL9396417 0.74 HSD17B10 (0.39) KDM4EHTTTSHRALDH1A1KMT2A
SCHEMBL2041571 0.74 KDM4E (0.42) KDM4EHTTTSHRALDH1A1MEN1
SCHEMBL15274538 0.73 TSHR (0.39) KDM4EHTTTSHRALDH1A1MEN1
SCHEMBL7010502 0.73 DRD2 (0.47)
SCHEMBL2068342 0.72 MAPT (0.40) KDM4EHTTTSHRALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2013544281-A 2013-12-12 JP disclosed
EP-2657231-A2 SUBSTITUTED AZOLES, ANTI-VIRAL ACTIVE INGREDIENT, PHARMACEUTICAL COMPOSITION, METHOD FOR THE PRODUCTION AND USE THEREOF Ivachtchenko, Alexandre Vasilievich (US) 2013-10-30 EP disclosed
US-20130253008-A1 SUBSTITUTED AZOLES, ANTIVIRAL ACTIVE COMPONENT, PHARMACEUTICAL COMPOSITION, METHOD FOR PREPARATION AND USE THEREOF ALLA CHEM LLC (US) 2013-09-26 US disclosed
WO-2012074437-A3 SUBSTITUTED AZOLES, ANTI-VIRAL ACTIVE INGREDIENT, PHARMACEUTICAL COMPOSITION, METHOD FOR THE PRODUCTION AND USE THEREOF АЛЛА ХЕМ, ЛЛС (US) 2012-09-13 WO disclosed
CN-1738828-B Avermectin b1 and avermectin b1 monosaccharide derivatives having an alkoxymethyl substituent in the 4''- or 4'-position MERIAL LTD 2012-09-05 CN disclosed
WO-2012074437-A2 SUBSTITUTED AZOLES, ANTI-VIRAL ACTIVE INGREDIENT, PHARMACEUTICAL COMPOSITION, METHOD FOR THE PRODUCTION AND USE THEREOF АЛЛА ХЕМ, ЛЛС (US) 2012-06-07 WO disclosed
CN-1738828-A Avermectin b1 and avermectin b1 monosaccharide derivatives having an alkoxymethyl substituent in the 4''- or 4'-position SYNGENTA PARTICIPATIONS AG (CH) 2006-02-22 CN disclosed
US-20040179770-A1 Polarisation independent optical switch QINETIQ LIMITED 2004-09-16 US disclosed
US-5466691-A Antipsychotic and anxiolytic agents YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1995-11-14 US disclosed
EP-0596120-A1 THIOPHENE COMPOUND YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1994-05-11 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 (1 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-20130253008-A1 SUBSTITUTED AZOLES, ANTIVIRAL ACTIVE COMPONENT, PHARMACEUTICAL COMPOSITION, METHOD FOR PREPARATION AND USE THEREOF HCCS, EIF2AK2, HAVCR2 KDM4E 1508/4885HTT 4659/4885TSHR 1510/4885

“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.