Sugi Predict

Sugi Predict / Compounds / SCHEMBL6697372

SCHEMBL6697372

SCHEMBL6697372

COC(=O)Cc1c(OS(=O)(=O)C(F)(F)F)ccc([N+](=O)[O-])c1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.38
▸ TXNRD1 Q16881 1/20 0.37
▸ ALDH3A1 P30838 1/20 0.36
▸ PDGFRB P09619 1/20 0.36
▸ FGFR1 P11362 1/20 0.36
▸ PDGFRA P16234 1/20 0.36
▸ FLT1 P17948 1/20 0.36
▸ FGFR3 P22607 1/20 0.36
▸ KDR P35968 1/20 0.36
▸ MEN1 O00255 4/20 0.34
▸ KMT2A Q03164 4/20 0.34
▸ MAPT P10636 3/20 0.34
▸ LMNA P02545 2/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ ABCC9 O60706 1/20 0.33
▸ ABCC8 Q09428 1/20 0.33
▸ KCNJ11 Q14654 1/20 0.33
▸ KCNJ8 Q15842 1/20 0.33
▸ CES2 O00748 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
SCHEMBL6280234 0.81 ALDH1A1 (0.37) ALDH1A1ALDH3A1PDGFRBFGFR1PDGFRA
SCHEMBL7465621 0.81 MEN1 (0.43) ALDH1A1ALDH3A1PDGFRBFGFR1PDGFRA
SCHEMBL6284303 0.78 PDGFRB (0.43) ALDH1A1TXNRD1PDGFRBFGFR1PDGFRA
SCHEMBL30765972 0.78 PDGFRB (0.43) ALDH1A1TXNRD1PDGFRBFGFR1PDGFRA
SCHEMBL30765782 0.74 ALDH1A1 (0.41) ALDH1A1PDGFRBFGFR1PDGFRAFLT1
SCHEMBL3352532 0.74 VCAM1 (0.54) ALDH1A1MEN1KMT2AMAPTNPSR1
SCHEMBL2484778 0.71 VCAM1 (0.57) ALDH1A1MEN1KMT2AMAPTLMNA
SCHEMBL2126108 0.71 CYP4F2 (0.43) ALDH1A1MAPTGAA
SCHEMBL30154424 0.71 CYP4F2 (0.43) ALDH1A1MAPTGAA
SCHEMBL4471027 0.71 TDP1 (0.41) ALDH1A1TXNRD1ALDH3A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040138275-A1 Polycyclic aryl and heteroaryl substituted benzenes useful for selective inhibition of the coagulation cascade PHARMACIA CORPORATION 2004-07-15 — — US disclosed
US-6660885-B2 Serine protease inhibitor PHARMACIA CORPORATION 2003-12-09 — — US disclosed
US-20020025947-A1 Polycyclic aryl and heteroaryl substituted benzenes useful for selective inhibition of the coagulation cascade PHARMACIA CORPORATION 2002-02-28 — — US disclosed
WO-2001068605-A1 POLYCYCLIC ARYL AND HETEROARYL SUBSTITUTED BENZENES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE PHARMACIA CORPORATION (US) 2001-09-20 — — 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 (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-20040138275-A1 Polycyclic aryl and heteroaryl substituted benzenes useful for selective inhibition of the coagulation cascade TFPI, TFPI2, PLAT ALDH1A1 2669/4885TXNRD1 3927/4885ALDH3A1 1175/4885
US-20020025947-A1 Polycyclic aryl and heteroaryl substituted benzenes useful for selective inhibition of the coagulation cascade TFPI, TFPI2, PLAT ALDH1A1 2669/4885TXNRD1 3927/4885ALDH3A1 1175/4885

“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.