Sugi Predict

Sugi Predict / Compounds / SCHEMBL3530391

SCHEMBL3530391

SCHEMBL3530391

COC(=O)c1ccc(N(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 4/20 0.42
▸ NR1H2 P55055 1/20 0.41
▸ NR1H3 Q13133 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ CFTR P13569 1/20 0.40
▸ POLB P06746 1/20 0.39
▸ MCOLN3 Q8TDD5 1/20 0.39
▸ ABL1 P00519 1/20 0.39
▸ EPAS1 Q99814 1/20 0.38
▸ FLT1 P17948 2/20 0.38
▸ FLT4 P35916 2/20 0.38
▸ KDR P35968 2/20 0.38
▸ TUBB4A P04350 2/20 0.37
▸ TUBB P07437 2/20 0.37
▸ TUBA3C P0DPH7 2/20 0.37
▸ TUBA1B P68363 2/20 0.37
▸ TUBA4A P68366 2/20 0.37
▸ TUBB4B P68371 2/20 0.37
▸ TUBB3 Q13509 2/20 0.37

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
SCHEMBL7689229 0.83 RAB9A (0.46) PDK2ALDH1A1TSHRPOLBMCOLN3
SCHEMBL1110874 0.76 NQO2 (0.52) PDK2ALDH1A1TSHRABL1FLT1
SCHEMBL1020557 0.76 KMT2A (0.52) ALDH1A1TSHRPOLBMCOLN3ABL1
SCHEMBL17103463 0.76 CHEK1 (0.40) PDK2NR1H2NR1H3TSHRCFTR
SCHEMBL3529751 0.75 POLB (0.48) ALDH1A1TSHRPOLBABL1RAB9A
SCHEMBL27707339 0.73 ABL1 (0.44) PDK2ALDH1A1TSHRABL1FLT1
SCHEMBL6848053 0.72 CFTR (0.67) PDK2ALDH1A1CFTRABL1KDM4E
Trifluoromethanesulfonic Acid SCHEMBL1110833 0.72 PDK2 (0.41) PDK2ALDH1A1TSHRCFTRABL1
SCHEMBL2292693 0.71 ATR (0.43) PDK2ALDH1A1TSHRCFTRABL1
Trifluoromethanesulfonic Acid SCHEMBL1110830 0.71 PDK2 (0.41) PDK2ALDH1A1TSHRCFTRABL1

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-7645771-B2 CCR5 antagonists as therapeutic agents SMITHKLINE BEECHAM CORP. (US) 2010-01-12 — — US disclosed
US-7645771-B2 CCR5 antagonists as therapeutic agents SMITHKLINE BEECHAM CORP. (US) 2010-01-12 — — US disclosed
US-7645771-B2 CCR5 antagonists as therapeutic agents SMITHKLINE BEECHAM CORP. (US) 2010-01-12 — — US disclosed
US-20060229336-A1 Ccr5 antagonists as therapeutic agents SMITHKLINE BEECHAM CORPORATION 2006-10-12 — — US disclosed
EP-1569646-A2 PIPERIDINE DERIVATIVES AS CCR5 ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2005-09-07 — — EP disclosed
WO-2004054974-A2 PIPERIDINE DERIVATIVES AS CCR5 ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2004-07-01 — — 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-20060229336-A1 Ccr5 antagonists as therapeutic agents CCR5, CCR1, CXCR3 PDK2 2053/4885NR1H2 84/4885NR1H3 68/4885

“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.