SCHEMBL6887603

SCHEMBL6887603

CCOC(=O)CCSC(=O)OCOC(=O)CCCOc1ccc(Cl)cc1Cl

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.58
HPGD P15428 8/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
TSHR P16473 2/20 0.55
RAB9A P51151 2/20 0.55
NPC1 O15118 1/20 0.55
L3MBTL1 Q9Y468 3/20 0.53
TDP1 Q9NUW8 2/20 0.53
CYP1A2 P05177 2/20 0.52
CYP2C19 P33261 2/20 0.52
CYP3A4 P08684 1/20 0.52
MEN1 O00255 6/20 0.50
KMT2A Q03164 6/20 0.50
ALDH1A1 P00352 2/20 0.49
NLRP1 Q9C000 1/20 0.48
TP53 P04637 1/20 0.48
LMNA P02545 2/20 0.46

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
SCHEMBL6889265 0.90 TDP1 (0.56) MAPTHPGDSMN1; SMN2TSHRRAB9A
SCHEMBL7713706 0.90 MAPT (0.64) MAPTHPGDSMN1; SMN2TSHRRAB9A
SCHEMBL1090743 0.87 MAPT (0.74) MAPTHPGDSMN1; SMN2TSHRRAB9A
SCHEMBL6882413 0.83 SMN1; SMN2 (0.48) MAPTHPGDSMN1; SMN2TSHRL3MBTL1
SCHEMBL28252189 0.81 MAPT (0.63) MAPTHPGDSMN1; SMN2TSHRRAB9A
SCHEMBL7709886 0.79 MAPT (0.68) MAPTHPGDSMN1; SMN2TSHRRAB9A
SCHEMBL29435284 0.78 ALDH1A1 (0.78) MAPTHPGDSMN1; SMN2TSHRRAB9A
SCHEMBL6887600 0.77 MAPT (0.57) MAPTHPGDSMN1; SMN2TSHRRAB9A
SCHEMBL1613775 0.77 MEN1 (0.76) MAPTHPGDSMN1; SMN2TSHRRAB9A
SCHEMBL29351129 0.77 MEN1 (0.76) MAPTHPGDSMN1; SMN2TSHRRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040254182-A1 Enhanced propertied pharmaceuticals ROHM AND HAAS COMPANY 2004-12-16 US disclosed
EP-1272463-A1 ENHANCED PROPERTIED PHARMACEUTICALS ROHM AND HAAS COMPANY (US) 2003-01-08 EP disclosed
WO-2002072559-A1 PROCESS TO INTERMEDIATES FOR BIOLOGICALLY ACTIVE COMPOUNDS ROHM AND HAAS COMPANY (US) 2002-09-19 WO disclosed
US-20010039343-A1 Process to intermediates for biologically active compounds MULVIHILL MARK JOSEPH (US) 2001-11-08 US disclosed
WO-2001056358-A2 ENHANCED PROPERTIED PESTICIDES ROHM AND HAAS COMPANY (US) 2001-08-09 WO disclosed
WO-2001054481-A2 ENHANCED PROPERTIED PHARMACEUTICALS ROHM AND HAAS COMPANY (US) 2001-08-02 WO disclosed
WO-2001055082-A2 INTERMEDIATES FOR BIOLOGICALLY ACTIVE COMPOUNDS ROHM AND HAAS COMPANY (US) 2001-08-02 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-20040254182-A1 Enhanced propertied pharmaceuticals ABCB1, ABCB11, ABCG2 MAPT 2094/4885HPGD 677/4885SMN1; SMN2 1308/4885
US-20010039343-A1 Process to intermediates for biologically active compounds DDT, CYP4X1, CYP1B1 MAPT 3326/4885HPGD 648/4885SMN1; SMN2 2861/4885

“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.