Sugi Predict

Sugi Predict / Compounds / SCHEMBL6784875

SCHEMBL6784875

SCHEMBL6784875

O=C1NC(=O)C(S(=O)(=O)c2ccc(I)cc2)S1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 3/20 0.39
▸ PRSS1 P07477 3/20 0.39
▸ PRSS2 P07478 3/20 0.39
▸ PRSS3 P35030 3/20 0.39
▸ CA2 P00918 5/20 0.38
▸ CA1 P00915 4/20 0.38
▸ MMP2 P08253 2/20 0.38
▸ MMP9 P14780 2/20 0.38
▸ MMP1 P03956 1/20 0.38
▸ MMP8 P22894 1/20 0.38
▸ MMP13 P45452 1/20 0.38
▸ CA9 Q16790 2/20 0.35
▸ CA12 O43570 1/20 0.35
▸ MAPT P10636 1/20 0.34
▸ ITGA1 P56199 1/20 0.31
▸ RAPGEF4 Q8WZA2 1/20 0.30
▸ DDB1 Q16531 1/20 0.30
▸ CRBN Q96SW2 1/20 0.30

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
SCHEMBL8306361 0.83 CA2 (0.41) F2PRSS1PRSS2PRSS3CA2
SCHEMBL6787966 0.83 F2 (0.39) F2PRSS1PRSS2PRSS3CA2
SCHEMBL6789519 0.69 CA2 (0.45) CA2CA1CA9CA12DDB1
SCHEMBL6594256 0.68 TSHR (0.38) CA2MAPT
SCHEMBL8302470 0.67 CA2 (0.39) CA2MAPTDDB1CRBN
SCHEMBL8304958 0.65 GAA (0.36) CA2MAPTDDB1CRBN
SCHEMBL514274 0.65 CA1 (0.50) F2PRSS1PRSS2PRSS3CA2
SCHEMBL2410434 0.62 MMP13 (0.43) F2PRSS1PRSS2PRSS3CA2
SCHEMBL1008930 0.60 CA2 (0.64) CA2CA1CA9CA12
SCHEMBL34775 0.60 LMNA (0.59) F2PRSS1PRSS2PRSS3CA2

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-6784184-B2 FOR THERAPY OF RAS- ONCOGENE-DEPENDENT TUMORS, SUCH AS CANCERS OF PANCREAS, COLON, BLADDER, AND THYROID; USEFUL FOR CONTROLLING METASTASIS, SUPPRESSING ANGIOGENESIS, INDUCING APOPTOSIS, AND RAS-ASSOCIATED PROLIFERATIVE DISEASES WYETH HOLDINGS CORPORATION 2004-08-31 — — US disclosed
US-6605628-B1 Treatment of ras oncogene-dependent tumors; controlling metastasis, suppressing angiogenesis, inducing apoptosis WYETH HOLDINGS CORPORATION 2003-08-12 — — US disclosed
US-20030149063-A1 5-(arylsulfonyl)-,5-(arylsulfinyl), and 5-(arylsulfanyl)-thiazolidine-2,4-diones useful for inhibition of farnesyl-protein transferase AMERICAN CYANAMID COMPANY 2003-08-07 — — US disclosed
US-20030144301-A1 Method of using 5-(arysulfonyl)-, 5-(arylsulfanyl)-and 5-(arylsulfanyl)thiazolidine-2,4-diones for inhibition of farnesyl-protein transferase AMERICAN CYANAMID COMPANY (US) 2003-07-31 — — 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 (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-20030144301-A1 Method of using 5-(arysulfonyl)-, 5-(arylsulfanyl)-and 5-(arylsulfanyl)thiazolidine-2,4-diones for inhibition of farnesyl-protein transferase FNTB, FNTA, TST F2 3358/4885PRSS1 15/4885PRSS2 12/4885
US-20030149063-A1 5-(arylsulfonyl)-,5-(arylsulfinyl), and 5-(arylsulfanyl)-thiazolidine-2,4-diones useful for inhibition of farnesyl-protein transferase FNTB, FNTA, NAT1 F2 3473/4885PRSS1 17/4885PRSS2 23/4885

“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.