SCHEMBL13185751

SCHEMBL13185751

O=S(=O)(I)c1ccc(F)c2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.53
TSHR P16473 1/20 0.53
GAA P10253 1/20 0.49
HTT P42858 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
FABP4 P15090 9/20 0.44
LDHA P00338 1/20 0.38
FABP5 Q01469 2/20 0.35
TET2 Q6N021 3/20 0.33
SLC40A1 Q9NP59 1/20 0.33
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
HPRT1 P00492 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
SCHEMBL4880115 0.79 LDHA (0.62) ALDH1A1TSHRGAAHTTNPSR1
SCHEMBL1339739 0.79 ALDH1A1 (0.53) ALDH1A1TSHRGAAHTTNPSR1
SCHEMBL3174180 0.79 ALDH1A1 (0.53) ALDH1A1TSHRGAAHTTNPSR1
SCHEMBL4573139 0.79 ALDH1A1 (0.53) ALDH1A1TSHRGAAHTTNPSR1
Hydrochloric Acid SCHEMBL27989876 0.78 ALDH1A1 (0.51) ALDH1A1TSHRGAAHTTNPSR1
SCHEMBL28550814 0.78 ALDH1A1 (0.51) ALDH1A1TSHRGAAHTTNPSR1
SCHEMBL6548757 0.76 ALDH1A1 (0.54) ALDH1A1TSHRGAAHTTNPSR1
SCHEMBL19922628 0.75 TTR (0.50) ALDH1A1TSHRGAALDHA
SCHEMBL2371975 0.75 GAA (0.56) ALDH1A1TSHRGAAHTTNPSR1
SCHEMBL15352744 0.75 ALDH1A1 (0.49) ALDH1A1TSHRGAAHTTNPSR1

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-20100222330-A1 New Compounds BIOVITRUM AB (SE) 2010-09-02 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-20100222330-A1 New Compounds SULT2A1, GPR119, STS ALDH1A1 363/4885TSHR 1178/4885GAA 424/4885

“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.