SCHEMBL4139067

SCHEMBL4139067

O=C(CCSC(c1ccccc1)(c1ccccc1)c1ccccc1)NCCOCCOCCOCCO

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.43
KIF11 P52732 8/20 0.39
HPGD P15428 3/20 0.39
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
RAB9A P51151 1/20 0.39
LMNA P02545 1/20 0.38
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA4 P22748 2/20 0.38
CA9 Q16790 2/20 0.38
CA14 Q9ULX7 2/20 0.38
TLR2 O60603 1/20 0.37
TLR1 Q15399 1/20 0.37

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
SCHEMBL4130049 0.85 KIF11 (0.39) SMN1; SMN2KIF11HPGDALDH1A1KMT2A
SCHEMBL16715243 0.84 SMN1; SMN2 (0.39) SMN1; SMN2KIF11HPGDALDH1A1KMT2A
SCHEMBL18704722 0.82 KIF11 (0.45) SMN1; SMN2KIF11LMNA
SCHEMBL2806972 0.81 L3MBTL1 (0.43) KIF11HPGDLMNA
SCHEMBL4804833 0.79 KIF11 (0.50) KIF11
SCHEMBL4530986 0.79 KIF11 (0.50) KIF11
SCHEMBL23299724 0.79 KIF11 (0.47) KIF11HPGDLMNA
SCHEMBL18704720 0.79 KIF11 (0.56) KIF11
SCHEMBL4531442 0.78 KIF11 (0.52) KIF11
SCHEMBL18670041 0.78 TAAR1 (0.39) SMN1; SMN2KIF11HPGDALDH1A1KMT2A

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-10472420-B2 Immune response modifier conjugates 3M INNOVATIVE PROPERTIES COMPANY (US) 2019-11-12 US disclosed
EP-3085373-A1 IMMUNE RESPONSE MODIFIER CONJUGATES 3M Innovative Properties Company (US) 2016-10-26 EP disclosed
US-20150141625-A1 IMMUNE RESPONSE MODIFIER CONJUGATES SOLVENTUM INTELLECTUAL PROPERTIES COMPANY 2015-05-21 US disclosed
US-8951528-B2 Immune response modifier conjugates 3M INNOVATIVE PROPERTIES COMPANY (US) 2015-02-10 US disclosed
US-20090035323-A1 IMMUNE RESPONSE MODIFIER CONJUGATES SOLVENTUM INTELLECTUAL PROPERTIES COMPANY 2009-02-05 US disclosed
EP-1988896-A2 IMMUNE RESPONSE MODIFIER CONJUGATES 3M Innovative Properties Company (US) 2008-11-12 EP disclosed
WO-2007100634-A2 IMMUNE RESPONSE MODIFIER CONJUGATES 3M INNOVATIVE PROPERTIES COMPANY (US) 2007-09-07 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 (3 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-20150141625-A1 IMMUNE RESPONSE MODIFIER CONJUGATES IFNG, CD74, MYD88 SMN1; SMN2 4620/4885KIF11 2020/4885HPGD 1584/4885
US-20090035323-A1 IMMUNE RESPONSE MODIFIER CONJUGATES IFNG, CD74, MYD88 SMN1; SMN2 4620/4885KIF11 2020/4885HPGD 1584/4885
US-10472420-B2 Immune response modifier conjugates IFNG, CD74, MYD88 SMN1; SMN2 4620/4885KIF11 2020/4885HPGD 1584/4885

“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.