SCHEMBL7028055

SCHEMBL7028055

CCOC(=O)C1SCC(C(F)(F)F)C1=NO

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.33
ALDH1A1 P00352 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
KDM4E B2RXH2 2/20 0.31
MAPT P10636 1/20 0.31
PPM1B O75688 1/20 0.31
PTPN1 P18031 1/20 0.31
PPP1CC P36873 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
SCHEMBL7025919 0.89 PPM1B (0.33) PPM1BPTPN1PPP1CC
SCHEMBL7025920 0.89 PPM1B (0.33) PPM1BPTPN1PPP1CC
SCHEMBL7032643 0.81 PKM (0.36) PKMALDH1A1MEN1KMT2AKDM4E
SCHEMBL7030188 0.80 KDM4E (0.33) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL7466215 0.78 ALDH1A1 (0.31) ALDH1A1
SCHEMBL7028090 0.78 KDM4E (0.33) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL7029365 0.78 KDM4E (0.33) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL7029452 0.70 PPM1B (0.33) KDM4EPPM1BPTPN1PPP1CC
SCHEMBL7033442 0.69 PPM1B (0.33) PPM1BPTPN1PPP1CC
SCHEMBL7030167 0.69 PPM1B (0.33) PPM1BPTPN1PPP1CC

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 PKM 2565/4885ALDH1A1 261/4885MEN1 4546/4885

“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.