SCHEMBL5494136

SCHEMBL5494136

NC1(N(C(=O)O)S(=O)(=O)O)CCCCC1

nearest known ligand 0.31

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.31
USP2 O75604 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
CYP1A2 P05177 1/20 0.31
BLM P54132 1/20 0.31
CACNA2D1 P54289 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CYP2C19 P33261 1/20 0.30

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
SCHEMBL28084072 0.70 TSHR (0.39) TSHRUSP2ALDH1A1LMNACYP1A2
SCHEMBL4529406 0.68 TSHR (0.33) TSHRUSP2ALDH1A1LMNACYP1A2
SCHEMBL4958757 0.68
SCHEMBL5494147 0.64 TSHR (0.31) TSHRUSP2ALDH1A1LMNACYP1A2
SCHEMBL2725107 0.64 TSHR (0.31) TSHRUSP2ALDH1A1LMNACYP1A2
SCHEMBL5169910 0.61 TSHR (0.39) TSHRCYP2C19
Sulfuric Acid SCHEMBL5465130 0.61 TSHR (0.39) TSHRBLMCYP2C19
Sulfuric Acid SCHEMBL4208350 0.61 CYP1A2 (0.48) TSHRUSP2ALDH1A1LMNACYP1A2
Bicarbonate SCHEMBL29148107 0.60 TSHR (0.42) TSHRUSP2ALDH1A1LMNACYP1A2
SCHEMBL744894 0.58 NSD2 (0.48) TSHRUSP2ALDH1A1LMNACYP1A2

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-20070287706-A1 Certain substituted quinolones, compositions, and uses thereof AGRIUS GROUP, LLC. 2007-12-13 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-20070287706-A1 Certain substituted quinolones, compositions, and uses thereof ABCG2, ATP5ME, ATP5MG TSHR 4758/4885USP2 1282/4885ALDH1A1 1055/4885

“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.