SCHEMBL6786223

SCHEMBL6786223

O=Cc1cc(OS(=O)(=O)C(F)(F)F)ccc1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPT P10636 1/20 0.41
ALOX15 P16050 1/20 0.41
PRKDC P78527 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
ERN1 O75460 3/20 0.36
CYP19A1 P11511 1/20 0.35
EPAS1 Q99814 2/20 0.35
ALDH3A1 P30838 1/20 0.35
HTR1A P08908 1/20 0.34
HTR1D P28221 1/20 0.34
HTR1B P28222 1/20 0.34
BACE1 P56817 1/20 0.34

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
SCHEMBL3499864 0.82 ALDH1A1 (0.46) ALDH1A1KDM4ECYP3A4MAPTALOX15
SCHEMBL1578830 0.81 TDP1 (0.50) PTPN1ALDH1A1CA1CA2EPAS1
SCHEMBL4523311 0.79 TSHR (0.46) PTPN1ALDH1A1KDM4EMAPTHSD17B10
SCHEMBL9913527 0.78 VCAM1 (0.54) PTPN1ALDH1A1KDM4EMAPTCA1
SCHEMBL5659758 0.78 MAPT (0.43) ALDH1A1KDM4ECYP3A4MAPTALOX15
SCHEMBL11126763 0.76 TDP1 (0.46) PTPN1ALDH1A1KDM4ECYP3A4MAPT
SCHEMBL10325783 0.76 MAPT (0.69) ALDH1A1KDM4ECYP3A4MAPTALOX15
SCHEMBL19132891 0.75 MAPT (0.47) ALDH1A1KDM4ECYP3A4MAPTALOX15
SCHEMBL30766429 0.75 ALDH1A1 (0.60) ALDH1A1KDM4ECYP3A4MAPTALOX15
SCHEMBL1161468 0.75 ALDH1A1 (0.60) ALDH1A1KDM4ECYP3A4MAPTALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8053439-B2 Benzophenone derivatives useful for inhibiting formation of microtubule CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2011-11-08 US disclosed
US-8053439-B2 Benzophenone derivatives useful for inhibiting formation of microtubule CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2011-11-08 US disclosed
US-20090275575-A1 BENZOPHENONE DERIVATIVES USEFUL FOR INHIBITING FORMATION OF MICROTUBULE CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2009-11-05 US disclosed
US-6686373-B2 ANALGESICS; ANTIINFLAMMATORY AGENT WARNER-LAMBERT COMPANY LLC 2004-02-03 US disclosed
US-20030130277-A1 Pyrazoloquinolinone derivatives as protein kinase C inhibitors KAWAMURA KIYOSHI (JP) 2003-07-10 US disclosed
EP-1310498-A2 Pyrazoloquinolinone derivatives as protein kinase C inhibitors PFIZER INC. (US) 2003-05-14 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 (2 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-20030130277-A1 Pyrazoloquinolinone derivatives as protein kinase C inhibitors PRKCB, PRKCA, PRKCG PTPN1 1485/4885ALDH1A1 3069/4885KDM4E 1349/4885
US-20090275575-A1 BENZOPHENONE DERIVATIVES USEFUL FOR INHIBITING FORMATION OF MICROTUBULE TUBB1, TUBA1C, TUBB6 PTPN1 2954/4885ALDH1A1 2222/4885KDM4E 2922/4885

“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.