Sugi Predict

Sugi Predict / Compounds / SCHEMBL6163867

SCHEMBL6163867

SCHEMBL6163867

C[Si](C)(C)CCOC(=O)c1c(OS(=O)(=O)C(F)(F)F)ccc2ccccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NCEH1 Q6PIU2 3/20 0.39
▸ KMT2A Q03164 4/20 0.38
▸ KDM4E B2RXH2 3/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ TSHR P16473 2/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ SLC2A1 P11166 1/20 0.35
▸ ATM Q13315 1/20 0.34
▸ CTSD P07339 1/20 0.34
▸ MMP3 P08254 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ HSD11B1 P28845 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33

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
SCHEMBL7513949 0.81 NCEH1 (0.58) NCEH1KMT2AKDM4EMEN1SLC2A1
SCHEMBL10015547 0.80 NCEH1 (0.53) NCEH1KDM4EALDH1A1HPGDSLC2A1
SCHEMBL6162041 0.77 ABCG2 (0.42) KMT2AKDM4EALDH1A1L3MBTL1MEN1
SCHEMBL6161826 0.76 KMT2A (0.43) NCEH1KMT2AKDM4EALDH1A1L3MBTL1
SCHEMBL9160883 0.76 CYP1A2 (0.39) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL578536 0.74 ALDH1A1 (0.36) KMT2AKDM4EALDH1A1L3MBTL1MEN1
SCHEMBL29626417 0.73 MAPT (0.38) NCEH1KDM4EALDH1A1L3MBTL1HPGD
SCHEMBL15565613 0.73 MAPT (0.38) NCEH1KDM4EALDH1A1L3MBTL1HPGD
SCHEMBL20563667 0.71 NCEH1 (0.47) NCEH1KDM4EALDH1A1L3MBTL1HPGD
SCHEMBL20746284 0.71 RAB9A (0.33) KMT2AKDM4EALDH1A1HPGDRAB9A

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
EP-1379516-B1 ALKOXYCARBONYLAMINO BENZOIC ACID OR ALKOXYCARBONYLAMINO TETRAZOLYL PHENYL DERIVATIVES AS IP ANTAGONISTS HOFFMANN LA ROCHE (CH) 2005-11-16 — — EP disclosed
US-6903086-B2 Alkoxycarbonylamino benzoic acid or alkoxycarbonylamino tetrazolyl phenyl derivatives as IP antagonists SYNTEX (U.S.A.) LLC (US) 2005-06-07 — — US disclosed
EP-1379516-A1 ALKOXYCARBONYLAMINO BENZOIC ACID OR ALKOXYCARBONYLAMINO TETRAZOLYL PHENYL DERIVATIVES AS IP ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2004-01-14 — — EP disclosed
US-20020165235-A1 Alkoxycarbonylamino benzoic acid or alkoxycarbonylamino tetrazolyl phenyl derivatives as IP antagonists SYNTEX (U.S.A.) LLC 2002-11-07 — — US disclosed
WO-2002070500-A1 ALKOXYCARBONYLAMINO BENZOIC ACID OR ALKOXYCARBONYLAMINO TETRAZOLYL PHENYL DERIVATIVES AS IP ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2002-09-12 — — WO 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-20020165235-A1 Alkoxycarbonylamino benzoic acid or alkoxycarbonylamino tetrazolyl phenyl derivatives as IP antagonists GPBAR1, GABRP, TBXA2R NCEH1 741/4885KMT2A 4499/4885KDM4E 4590/4885

“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.