SCHEMBL7027973

SCHEMBL7027973

CC(C)OC(=O)CSCC(C(=O)O)C(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
LMNA P02545 3/20 0.32
PRNP P04156 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 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
SCHEMBL7462365 0.87 NPSR1 (0.33) TSHRNPSR1L3MBTL1LMNACYP1A2
SCHEMBL7034586 0.84 SMN1; SMN2 (0.33) NPSR1L3MBTL1LMNACYP1A2CYP2C9
SCHEMBL7032255 0.78 TSHR (0.38) TSHRL3MBTL1LMNAPRNPCYP1A2
SCHEMBL7029341 0.75 TSHR (0.36) TSHRL3MBTL1LMNAPRNPALDH1A1
SCHEMBL14353167 0.74 LMNA (0.45) TSHRNPSR1L3MBTL1LMNAPRNP
SCHEMBL7030753 0.73 LMNA (0.37) TSHRNPSR1L3MBTL1LMNAPRNP
SCHEMBL2690868 0.70 RNPEP (0.35)
SCHEMBL7460510 0.70 LMNA (0.36) TSHRNPSR1L3MBTL1LMNAPRNP
SCHEMBL7032515 0.70 CYP1A2 (0.35) TSHRLMNACYP1A2CYP2C9CYP2C19
SCHEMBL12056607 0.69 LMNA (0.45) TSHRNPSR1L3MBTL1LMNAPRNP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030162979-A1 Substituted sulphonylamino(thio)carbonyl compounds MULLER KLAUS-HELMUT (DE) 2003-08-28 US disclosed
US-6441195-B1 2-ALKOXYCARBONYL-3-SULPHONAMIDE, SULPHONYL ISOCYANATE OR SULPHONYL ISOTHIOCYANATE-THIOPHENES; PRE- OR POSTEMERGENCE HERBICIDES; EFFICIENCY BAYER AKTIENGESELLSCHAFT (DE) 2002-08-27 US disclosed
US-6180567-B1 REACTING 2-ALKOXYCARBONYL-BENZENESULFONAMIDE DERIVATIVE WITH 1,2,4-(1H)TRIAZOLE-5-(THI)ONE DERIVATIVE BAYER AKTIENGESELLSCHAFT (DE) 2001-01-30 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-20030162979-A1 Substituted sulphonylamino(thio)carbonyl compounds CBR3, CTH, CBR1 TSHR 820/4885NPSR1 1226/4885L3MBTL1 1969/4885

“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.