SCHEMBL6154935

SCHEMBL6154935

O=C(NNC(=S)Nc1ccc(Cl)c(Cl)c1)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.67
MGAM O43451 1/20 0.67
SI P14410 1/20 0.67
MGAM2 Q2M2H8 1/20 0.67
PLA2G10 O15496 1/20 0.64
PHGDH O43175 1/20 0.64
F2 P00734 1/20 0.64
CA2 P00918 1/20 0.64
PLA2G1B P04054 1/20 0.64
ARG1 P05089 1/20 0.64
LCK P06239 1/20 0.64
HTR1A P08908 1/20 0.64
CHRM1 P11229 1/20 0.64
ACE P12821 1/20 0.64
PLA2G2A P14555 1/20 0.64
GABRA1 P14867 1/20 0.64
IDO1 P14902 1/20 0.64
MAOA P21397 1/20 0.64
CNR1 P21554 1/20 0.64
ACHE P22303 1/20 0.64

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
SCHEMBL6155423 0.81 CA2 (0.56) GAAMGAMSIMGAM2PLA2G10
SCHEMBL3044656 0.81 ALDH1A1 (0.70) RAB9AALDH1A1KMT2AMEN1MAPT
SCHEMBL7104019 0.79 HDAC3 (0.59) GAAMGAMSIMGAM2PLA2G10
SCHEMBL7517330 0.79 GUSB (0.53) GAAMGAMSIMGAM2PLA2G10
SCHEMBL12767876 0.78 ALDH1A1 (0.71) RAB9AALDH1A1KMT2AMEN1MAPT
SCHEMBL12190100 0.76 MEN1 (0.71) RAB9AKMT2AMEN1MAPTSMN1; SMN2
SCHEMBL30369807 0.76 NPC1 (1.00) RAB9AKMT2AMEN1MAPTNPC1
SCHEMBL4254257 0.76 NPC1 (1.00) RAB9AKMT2AMEN1MAPTNPC1
SCHEMBL11921739 0.75 RAB9A (0.74) GAAMGAMSIMGAM2PLA2G10
SCHEMBL5450586 0.74 ALDH1A1 (0.71) GAAIDO1MAOARAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050065118-A1 Organosulfur inhibitors of tyrosine phosphatases METABASIS THERAPEUTICS, INC. 2005-03-24 US disclosed
EP-1446110-A2 ORGANOSULFUR INHIBITORS OF TYROSINE PHOSPHATASES Structural Bioinformatics Inc. (US) 2004-08-18 EP disclosed
WO-2003032916-A2 ORGANOSULFUR INHIBITORS OF TYROSINE PHOSPHATASES STRUCTURAL BIOINFORMATICS INC. (US) 2003-04-24 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 (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-20050065118-A1 Organosulfur inhibitors of tyrosine phosphatases PTPRS, PTPRJ, PTPRCAP GAA 2365/4885MGAM 3845/4885SI 4535/4885

“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.