SCHEMBL9002537

SCHEMBL9002537

O=S(=O)(N=C(Oc1ccccc1)Oc1ccccc1)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.54
MAPT P10636 4/20 0.50
ALDH1A1 P00352 4/20 0.50
KDM4E B2RXH2 2/20 0.50
LMNA P02545 1/20 0.50
KMT2A Q03164 5/20 0.46
MEN1 O00255 3/20 0.45
HPGD P15428 2/20 0.45
ESR1 P03372 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
RAB9A P51151 1/20 0.43
HTT P42858 1/20 0.42
PTGES O14684 1/20 0.41
MAPK1 P28482 1/20 0.41
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C19 P33261 2/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40

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
SCHEMBL7519807 0.81 GAA (0.51) GAAMAPTALDH1A1KDM4ELMNA
SCHEMBL22202131 0.78 MAPT (0.38) GAAMAPTKDM4EKMT2AMEN1
SCHEMBL3596957 0.78 CA1 (0.47) GAAMAPTKDM4ELMNAKMT2A
SCHEMBL2468563 0.78 TMPRSS15 (0.42) GAAMAPTALDH1A1KDM4EHPGD
SCHEMBL6638315 0.74 MAPT (0.46) GAAMAPTALDH1A1KDM4ELMNA
SCHEMBL6639308 0.74 TMPRSS15 (0.39) GAAMAPTALDH1A1KDM4ELMNA
SCHEMBL14427585 0.74 GAA (0.62) GAAMAPTALDH1A1KDM4ELMNA
SCHEMBL8932535 0.71 ALDH1A1 (0.57) GAAMAPTALDH1A1KDM4ELMNA
SCHEMBL10425537 0.71 F2 (0.67) MAPTALDH1A1KDM4ELMNAKMT2A
SCHEMBL7771730 0.71 ALDH1A1 (0.62) GAAMAPTALDH1A1KDM4ELMNA

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
US-10662156-B2 Guanidine derivative and medical use thereof TORAY INDUSTRIES, INC. (JP) 2020-05-26 US disclosed
US-10662156-B2 Guanidine derivative and medical use thereof TORAY INDUSTRIES, INC. (JP) 2020-05-26 US disclosed
US-20190233376-A1 GUANIDINE DERIVATIVE AND MEDICAL USE THEREOF TORAY INDUSTRIES, INC. (JP) 2019-08-01 US disclosed
US-20190233376-A1 GUANIDINE DERIVATIVE AND MEDICAL USE THEREOF TORAY INDUSTRIES, INC. (JP) 2019-08-01 US disclosed
EP-3495348-A1 GUANIDINE DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES Toray Industries, Inc. (JP) 2019-06-12 EP disclosed
EP-3495348-A1 GUANIDINE DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES Toray Industries, Inc. (JP) 2019-06-12 EP disclosed
WO-2018021520-A1 GUANIDINE DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES 東レ株式会社 2018-02-01 WO disclosed
US-5482948-A Pyridyl derivatives and pharmaceutical compositions comprising these compounds DR. KARL THOMAE GMBH (DE) 1996-01-09 US disclosed
EP-0547517-B1 Pyridyl derivatives, medicines containing these compounds and processes for their preparation THOMAE GMBH DR K (DE) 1995-05-17 EP disclosed
EP-0547517-A1 Pyridyl derivatives, medicines containing these compounds and processes for their preparation Dr. Karl Thomae GmbH (DE) 1993-06-23 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-20190233376-A1 GUANIDINE DERIVATIVE AND MEDICAL USE THEREOF MALT1, GUCY1A1, GUCY1B1 GAA 30/4885MAPT 671/4885ALDH1A1 1505/4885
US-10662156-B2 Guanidine derivative and medical use thereof MALT1, GUCY1A1, GUCY1B1 GAA 30/4885MAPT 671/4885ALDH1A1 1505/4885

“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.