Sugi Predict

Sugi Predict / Compounds / SCHEMBL7217754

SCHEMBL7217754

SCHEMBL7217754

CC(C)c1ccc(-c2ccc(S(=O)(=O)Cl)s2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 5/20 0.39
▸ MMP9 P14780 5/20 0.39
▸ TRPV4 Q9HBA0 1/20 0.37
▸ CA12 O43570 2/20 0.36
▸ CA1 P00915 2/20 0.36
▸ CA2 P00918 2/20 0.36
▸ CA9 Q16790 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ DRD2 P14416 1/20 0.36
▸ HTR2C P28335 1/20 0.36
▸ DRD3 P35462 1/20 0.36
▸ HTR6 P50406 1/20 0.36
▸ HDAC6 Q9UBN7 3/20 0.35
▸ HDAC3 O15379 2/20 0.35
▸ HDAC1 Q13547 2/20 0.35
▸ HDAC2 Q92769 2/20 0.35

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
SCHEMBL2764152 0.82 IKBKB (0.47) MMP2MMP9CA12CA1CA2
SCHEMBL3254332 0.81 MMP2 (0.42) MMP2MMP9CA12CA1CA2
SCHEMBL7549393 0.81 MMP2 (0.42) MMP2MMP9CA12CA1CA2
SCHEMBL7058199 0.81 MMP2 (0.45) MMP2MMP9MMP14MMP3MMP8
SCHEMBL13522725 0.78 APP (0.54) RAB9AKDM4ENPC1HPGDSMN1; SMN2
SCHEMBL7056144 0.77 MEN1 (0.49) CA12CA1CA2CA9RAB9A
SCHEMBL7057540 0.77 KDM4E (0.42) MMP2MMP9CA12CA1CA2
SCHEMBL6957992 0.77 MMP2 (0.36) MMP2MMP9CA12CA1CA2
SCHEMBL3255089 0.77 MMP2 (0.45) MMP2MMP9KDM4ENPC1HPGD
SCHEMBL957340 0.77 CA12 (0.44) CA12CA1CA2CA9RAB9A

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-6613804-B2 Treatment of hypertension, cardiovascular disease, pulmonary hypertension, erythropoietin-mediated vasoconstriction, endotoxin shock, pulmonary hypertension, anaphylactic shock and hemorrhagic shock ENCYSIVE PHARMACEUTICALS, INC. 2003-09-02 — — US disclosed
US-20020095041-A1 Biphenylsulfonamides and derivatives thereof that modulate the activity of endothelin ENCYSIVE PHARMACEUTICALS INC. 2002-07-18 — — US disclosed
US-6331637-B1 N-Alkyl, N-Alkenyl, N-Alkynyl, N-Aryl and N-fused bicyclo or tricyclo thienyl-, furyl-,and Pyrrolyl-sulfonamides and derivatives thereof that modulate the activity of endothelin TEXAS BIOTECHNOLOGY CORPORATION 2001-12-18 — — US disclosed
US-5962490-A Thienyl-, furyl- and pyrrolyl-sulfonamides and derivatives thereof that modulate the activity of endothelin TEXAS BIOTECHNOLOGY CORPORATION (US) 1999-10-05 — — 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-20020095041-A1 Biphenylsulfonamides and derivatives thereof that modulate the activity of endothelin EDNRB, EDNRA, ECE2 MMP2 1029/4885MMP9 1703/4885TRPV4 848/4885

“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.