SCHEMBL1975417

SCHEMBL1975417

CCC(CC)(c1ccc(S(=O)(=O)N(CCO[Si](C)(C)C(C)(C)C)CCO[Si](C)(C)C(C)(C)C)cc1)P(=O)(O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.39
NPSR1 Q6W5P4 2/20 0.39
CA9 Q16790 8/20 0.38
CA12 O43570 7/20 0.38
CA1 P00915 5/20 0.38
LMNA P02545 4/20 0.37
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 2/20 0.37
RXFP1 Q9HBX9 1/20 0.37
HTT P42858 4/20 0.37
CA2 P00918 3/20 0.37
SMN1; SMN2 Q16637 4/20 0.36
TDP1 Q9NUW8 2/20 0.36
MEN1 O00255 1/20 0.36
TP53 P04637 1/20 0.36
ALOX15 P16050 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36

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
SCHEMBL1975415 0.76 TSHR (0.35) TSHRNPSR1CA9CA12CA1
SCHEMBL1974456 0.75 POLB (0.46) TSHRLMNAALDH1A1HTTMEN1
SCHEMBL1978010 0.75 SMN1; SMN2 (0.37) TSHRNPSR1CA9CA12CA1
SCHEMBL7757228 0.73 ALDH1A1 (0.45) TSHRALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL8571742 0.71 VCAM1 (0.37) TSHRNPSR1CA9CA12CA1
SCHEMBL7757769 0.70 VCAM1 (0.36) TSHRNPSR1CA9CA12CA1
SCHEMBL27741307 0.70 HSD11B1 (0.34) CA9CA12ALDH1A1MEN1KMT2A
SCHEMBL9720805 0.69 ENPP2 (0.42) KMT2ANPC1
SCHEMBL7870277 0.68 PGK1 (0.44) TSHRALDH1A1MEN1KMT2APKM
SCHEMBL2415090 0.66 SIGMAR1 (0.47) TSHRLMNAKDM4EALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8658129-B2 Agents and methods for the imaging of myelin basic protein GENERAL ELECTRIC COMPANY (US) 2014-02-25 US disclosed
US-20110142759-A1 AGENTS AND METHODS FOR THE IMAGING OF MYELIN BASIC PROTEIN GENERAL ELECTRIC COMPANY (US) 2011-06-16 US 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-20110142759-A1 AGENTS AND METHODS FOR THE IMAGING OF MYELIN BASIC PROTEIN MAG, PMP22, MYT1 TSHR 4269/4885NPSR1 3241/4885CA9 3159/4885

“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.