SCHEMBL13318917

SCHEMBL13318917

FCC(COSc1ccccc1)OCc1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.34
SLC1A3 P43003 2/20 0.33
SLC1A2 P43004 2/20 0.33
SLC1A1 P43005 2/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33
IDO1 P14902 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
CA1 P00915 4/20 0.32
CA2 P00918 2/20 0.32
CA7 P43166 2/20 0.32
CA9 Q16790 2/20 0.32
AGXT P21549 1/20 0.32
MAPT P10636 1/20 0.31

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
SCHEMBL14366901 0.73 TSHR (0.50) TSHRCYP1A2CYP2C19KMT2AIDO1
SCHEMBL13351325 0.71 CA1 (0.33) CYP1A2CYP2D6KMT2ACA1CA2
SCHEMBL28209391 0.70 IDO1 (0.41) TSHRSLC1A3SLC1A2SLC1A1MEN1
SCHEMBL23871760 0.70 L3MBTL1 (0.38) TSHRMEN1CYP1A2CYP2C9CYP2C19
SCHEMBL1847862 0.70 SLC1A3 (0.35) TSHRSLC1A3SLC1A2SLC1A1MEN1
SCHEMBL872393 0.69 ALDH1A1 (0.38) TSHRSLC1A3SLC1A2SLC1A1MEN1
SCHEMBL10659685 0.67 ALDH1A1 (0.40) MAPTALDH1A1MAPK1
SCHEMBL13318888 0.67 MAOA (0.38) TSHRSLC6A4MAPTALDH1A1MAPK1
SCHEMBL15510892 0.67 KCNH2 (0.33) ALDH1A1MAPK1
SCHEMBL4535810 0.66 TSHR (0.58) TSHRSLC1A3SLC1A2SLC1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100152463-A1 Methods for Preparing Fluoroalkyl Arylsulfinyl Compounds and Fluorinated Compounds Thereto IM&T RESEARCH, INC. (US) 2010-06-17 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-20100152463-A1 Methods for Preparing Fluoroalkyl Arylsulfinyl Compounds and Fluorinated Compounds Thereto PFAS, AGPS, FDPS TSHR 2367/4885SLC1A3 1976/4885SLC1A2 2528/4885

“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.