SCHEMBL10033899

SCHEMBL10033899

O=C1CCCC(S(=O)(=O)O)C1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.37
CYP3A4 P08684 2/20 0.37
LMNA P02545 1/20 0.37
GABRA1 P14867 1/20 0.37
TSHR P16473 1/20 0.37
GABRG2 P18507 1/20 0.37
NFKB1 P19838 1/20 0.37
GABRB3 P28472 1/20 0.37
GABRA5 P31644 1/20 0.37
GABRA3 P34903 1/20 0.37
GABRA2 P47869 1/20 0.37
GABRA6 Q16445 1/20 0.37
MAPT P10636 1/20 0.34
TRIM24 O15164 2/20 0.32
TRIM33 Q9UPN9 2/20 0.32
ESR2 Q92731 1/20 0.32
ALDH1A1 P00352 1/20 0.31
CYP2C9 P11712 1/20 0.30
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
Ammonia Solution, Strong SCHEMBL5191934 0.98 THRB (0.36) THRBCYP3A4LMNAGABRA1TSHR
SCHEMBL20550187 0.98 THRB (0.36) THRBCYP3A4LMNAGABRA1TSHR
Hydrochloric Acid SCHEMBL28261319 0.84 LMNA (0.38) CYP3A4LMNAGABRA1TSHRGABRG2
SCHEMBL8654266 0.83 LMNA (0.41) THRBCYP3A4LMNAGABRA1TSHR
SCHEMBL8535231 0.82 MAPT (0.36) THRBMAPTTRIM24TRIM33ALDH1A1
SCHEMBL28541809 0.78 MAPT (0.34) THRBMAPTTRIM24TRIM33ALDH1A1
SCHEMBL12402862 0.76
SCHEMBL20550163 0.75 THRB (0.36) THRBMAPT
Hydrochloric Acid SCHEMBL28261374 0.74 TSHR (0.39) CYP3A4LMNAGABRA1TSHRGABRG2
SCHEMBL10018103 0.72 LMNA (0.48) CYP3A4LMNAGABRA1TSHRGABRG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120029197-A1 Method for Preparing Sulfur-Containing Compounds THE ROYAL COLLEGE OF SURGEONS IN IRELAND (IE) 2012-02-02 US disclosed
US-20120029197-A1 Method for Preparing Sulfur-Containing Compounds THE ROYAL COLLEGE OF SURGEONS IN IRELAND (IE) 2012-02-02 US disclosed
WO-2010066450-A1 A METHOD FOR PREPARING SULFUR-CONTAINING COMPOUNDS THE ROYAL COLLEGE OF SURGEONS IN IRELAND (IE) 2010-06-17 WO disclosed
EP-2196456-A1 A method for preparing sulfur-containing compounds Royal College of Surgeons in Ireland (IE) 2010-06-16 EP 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-20120029197-A1 Method for Preparing Sulfur-Containing Compounds SULT1E1, SULT1A1, TST THRB 4728/4885CYP3A4 307/4885LMNA 4235/4885

“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.