SCHEMBL6582730

SCHEMBL6582730

CCc1cc(C)ccc1S(=O)(=O)NC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.45
▸ LMNA P02545 3/20 0.43
▸ POLB P06746 1/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ MAPT P10636 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ TSHR P16473 1/20 0.40
▸ CASP1 P29466 1/20 0.40
▸ CASP7 P55210 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ BRD4 O60885 1/20 0.40
▸ BRD2 P25440 1/20 0.40
▸ BRD3 Q15059 1/20 0.40
▸ NSD2 O96028 2/20 0.38
▸ MEP1B Q16820 1/20 0.38

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
SCHEMBL28689042 0.84 ALDH1A1 (0.41) ALDH1A1LMNAPOLBSMN1; SMN2MAPT
SCHEMBL28678429 0.82 ALDH1A1 (0.39) ALDH1A1LMNAPOLBSMN1; SMN2MAPT
SCHEMBL28694879 0.82 ALDH1A1 (0.39) ALDH1A1LMNAPOLBSMN1; SMN2MAPT
SCHEMBL16261204 0.80 ALDH1A1 (0.54) ALDH1A1LMNAPOLBSMN1; SMN2MAPT
SCHEMBL21925677 0.79 BRD4 (0.40) ALDH1A1LMNAPOLBSMN1; SMN2MAPT
SCHEMBL4138945 0.77 RAPGEF4 (0.42) ALDH1A1POLBSMN1; SMN2MAPTHPGD
SCHEMBL1794606 0.77 ALDH1A1 (0.46) ALDH1A1LMNAPOLBSMN1; SMN2MAPT
SCHEMBL21962890 0.77 ALDH1A1 (0.46) ALDH1A1LMNAPOLBSMN1; SMN2MAPT
SCHEMBL21028198 0.77 ALDH1A1 (0.43) ALDH1A1LMNAPOLBSMN1; SMN2MAPT
SCHEMBL16261200 0.77 ALDH1A1 (0.46) ALDH1A1LMNAPOLBSMN1; SMN2MAPT

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
EP-0901470-B1 INDOLE DERIVATIVES USEFUL AS ENDOTHELIN RECEPTOR ANTAGONISTS PFIZER (US) 2004-03-31 — — EP disclosed
US-6384070-B2 RESTENOSIS, KIDNEY DISEASES, LUNG DISEASES PFIZER INC. 2002-05-07 — — US disclosed
US-6306852-B1 INDOLE DERIVATIVES USEFUL IN THE TREATMENT OF A VARIETY OF DISEASES INCLUDING RESTENOSIS, RENAL FAILURE AND PULMONARY HYPERTENSION, AND TO PHARMACEUTICAL FORMULATIONS CONTAINING SUCH COMPOUNDS. PFIZER INC. 2001-10-23 — — US disclosed
US-20010014677-A1 Restenosis, kidney diseases, lung diseases RAWSON DAVID JAMES (GB) 2001-08-16 — — US disclosed
US-6136843-A CARDIOVASCULAR DISORDERS; KIDNEY DISORDERS PFIZER INC (US) 2000-10-24 — — US disclosed
US-6017945-A USEFUL IN THE TREATMENT OF RESTENOSIS, RENAL FAILURE AND PULMONARY HYPERTENSION PFIZER INC. (US) 2000-01-25 — — 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-20010014677-A1 Restenosis, kidney diseases, lung diseases NR1H2, NR1H3, NR1H4 ALDH1A1 2584/4885LMNA 1261/4885POLB 3141/4885

“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.

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