SCHEMBL7033259

SCHEMBL7033259

CCCOC(=O)c1cccc(OC(F)F)c1S(N)(=O)=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.49
TSHR P16473 3/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
STS P08842 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TP53 P04637 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAPK1 P28482 1/20 0.40
HSD17B10 Q99714 2/20 0.39
PDK2 Q15119 1/20 0.39
LMNA P02545 3/20 0.39
CYP2D6 P10635 1/20 0.38
CYP19A1 P11511 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
ADRB2 P07550 1/20 0.38
ADRB1 P08588 1/20 0.38
ADRB3 P13945 1/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL7027360 0.90 TSHR (0.46) ALDH1A1TSHRSMN1; SMN2HSD17B10POLB
SCHEMBL7034914 0.88 ALDH1A1 (0.49) ALDH1A1TSHRTDP1L3MBTL1SMN1; SMN2
SCHEMBL7029066 0.85 ALDH1A1 (0.54) ALDH1A1TSHRTDP1L3MBTL1STS
SCHEMBL7031068 0.83 CA1 (0.50) ALDH1A1TSHRL3MBTL1HSD17B10LMNA
SCHEMBL7030983 0.83 ALDH1A1 (0.49) ALDH1A1TSHRTDP1L3MBTL1STS
SCHEMBL7031377 0.83 ALDH1A1 (0.44) ALDH1A1TSHRTDP1L3MBTL1SMN1; SMN2
SCHEMBL7033464 0.81 NPC1 (0.44) SMN1; SMN2PDK2LMNA
SCHEMBL7029829 0.81 ALDH1A1 (0.55) ALDH1A1TSHRTDP1L3MBTL1STS
SCHEMBL7031833 0.79 ALDH1A1 (0.57) ALDH1A1TSHRTDP1L3MBTL1STS
SCHEMBL7031380 0.79 ALDH1A1 (0.57) ALDH1A1TSHRTDP1L3MBTL1STS

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 5 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
EP-0859774-B1 SUBSTITUTED SULPHONYLAMINO (THIO)CARBONYL COMPOUNDS AS HERBICIDES BAYER AG (DE) 2002-04-03 EP 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
EP-0859774-A1 SUBSTITUTED SULPHONYLAMINO (THIO)CARBONYL COMPOUNDS AS HERBICIDES BAYER AG (DE) 1998-08-26 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-20030162979-A1 Substituted sulphonylamino(thio)carbonyl compounds CBR3, CTH, CBR1 ALDH1A1 261/4885TSHR 820/4885TDP1 3464/4885

“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.