SCHEMBL7026696

SCHEMBL7026696

COC(=O)CSCC(C)C(=O)OC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 4/20 0.34
HSD17B10 Q99714 3/20 0.34
POLB P06746 1/20 0.34
MGAM O43451 1/20 0.33
GAA P10253 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
FCER2 P06734 1/20 0.33
CA14 Q9ULX7 1/20 0.32
ALDH1A1 P00352 2/20 0.32
RXFP1 Q9HBX9 2/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
MAPK1 P28482 1/20 0.32
KDM1A O60341 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
SCHEMBL18068957 1.00 TSHR (0.36) TSHRCYP1A2CYP2C9CYP2C19HTT
SCHEMBL7031752 0.87 LMNA (0.34) TSHRCYP1A2CYP2C9CYP2C19HTT
SCHEMBL7032280 0.87 CYP1A2 (0.49) TSHRCYP1A2CYP2C9CYP2C19HTT
SCHEMBL3461124 0.85 SMN1; SMN2 (0.41) TSHRCYP2C9CYP2C19SMN1; SMN2HSD17B10
SCHEMBL18099944 0.84 CA14 (0.36) TSHRSMN1; SMN2HSD17B10FCER2CA14
SCHEMBL13024935 0.84 CYP2D6 (0.42) CYP1A2CYP2C9CYP2C19SMN1; SMN2HSD17B10
SCHEMBL14842743 0.84 APEX1 (0.36) TSHRCYP1A2CYP2C9CYP2C19HTT
SCHEMBL7035531 0.84 CYP1A2 (0.38) CYP1A2CYP2C9CYP2C19HTTSMN1; SMN2
SCHEMBL11790741 0.81 KDM1A (0.35) TSHRSMN1; SMN2HSD17B10POLBMGAM
SCHEMBL20126557 0.80 CYP1A2 (0.38) CYP1A2CYP2C9CYP2C19HTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090093601-A1 Photochromic Compounds Comprising Polymeric Substituents And Methods For Preparation And Use Thereof POLYMERS AUSTRALIA PTY LIMITED (AU) 2009-04-09 US disclosed
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
WO-1997016449-A1 SUBSTITUTED SULPHONYLAMINO (THIO)CARBONYL COMPOUNDS AS HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-05-09 WO disclosed
US-3946111-A ANALYGESICS SHARPS ASSOCIATES (US) 1976-03-23 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 820/4885CYP1A2 227/4885CYP2C9 158/4885

“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.