Sugi Predict

Sugi Predict / Compounds / SCHEMBL2769248

SCHEMBL2769248

SCHEMBL2769248

CS(=O)(=O)N1CCC(/C=C/C(=O)O)CC1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.42
▸ ALDH1A1 P00352 4/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ TSHR P16473 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ MAPT P10636 2/20 0.41
▸ POLB P06746 2/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ HTT P42858 1/20 0.38
▸ LMNA P02545 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ ATM Q13315 1/20 0.36
▸ EPHX1 P07099 1/20 0.36
▸ EPHX2 P34913 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36

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
SCHEMBL2769250 1.00 TP53 (0.46) TP53NPSR1ALDH1A1SMN1; SMN2TSHR
Hydrochloric Acid SCHEMBL5233787 0.98 TP53 (0.45) TP53NPSR1ALDH1A1SMN1; SMN2TSHR
Hydrochloric Acid SCHEMBL27660529 0.98 TP53 (0.45) TP53NPSR1ALDH1A1SMN1; SMN2TSHR
SCHEMBL2767918 0.84 TP53 (0.45) TP53NPSR1ALDH1A1SMN1; SMN2TSHR
SCHEMBL2767914 0.84 TP53 (0.45) TP53NPSR1ALDH1A1SMN1; SMN2TSHR
SCHEMBL13393848 0.79 TP53 (0.44) TP53NPSR1ALDH1A1SMN1; SMN2TSHR
SCHEMBL27726560 0.79 TP53 (0.44) TP53NPSR1ALDH1A1SMN1; SMN2TSHR
SCHEMBL3591050 0.78 CNR1 (0.31) —
SCHEMBL3591053 0.78 CNR1 (0.31) —
SCHEMBL4444782 0.78 HTT (0.51) TP53NPSR1ALDH1A1SMN1; SMN2TSHR

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 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100099708-A1 Piperidine Derivative Used for Treating Chemokine Receptor 5 Mediated Diseases ASTRAZENECA AB (SE) 2010-04-22 — — US disclosed
EP-1761494-B1 CHEMICAL COMPOUNDS I ASTRAZENECA AB (SE) 2010-04-21 — — EP disclosed
US-20100093795-A1 Piperidine Derivative Used for Treating Chemokine Receptor 5 Mediated Diseases ASTRAZENECA AB (SE) 2010-04-15 — — US disclosed
US-20100010007-A1 PIPERIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR CCR5 ASTRAZENECA AB (SE) 2010-01-14 — — US disclosed
US-7615555-B2 Piperidine derivatives as modulators of chemokine receptor CCR5 ASTRAZENECA AB (SE) 2009-11-10 — — US disclosed
EP-2102193-A1 PIPERIDINE DERIVATIVE USED FOR TREATING CHEMOKINE RECEPTOR 5 MEDIATED DISEASES AstraZeneca AB (SE) 2009-09-23 — — EP disclosed
EP-2091946-A1 PIPERIDINE DERIVATIVE USED FOR TREATING CHEMOKINE RECEPTOR 5 MEDIATED DISEASES AstraZeneca AB (SE) 2009-08-26 — — EP disclosed
US-20090111993-A1 Process for Preparing Beta-(Fluorophenyl)-Propanoate Ester Derivatives ASTRAZENECA AB (SE) 2009-04-30 — — US disclosed
US-20080200460-A1 Chemical Compounds BROWN DEARG 2008-08-21 — — US disclosed
EP-1951652-A1 PROCESS FOR PREPARING BETA- (FLUOROPHENYL) -PROPANOATE ESTER DERIVATIVES Astra Zeneca AB (SE) 2008-08-06 — — EP disclosed
WO-2006067385-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2006-06-29 — — WO disclosed
EP-1654229-A1 PIPERIDINE DERIVATIVES AS CCR5 RECEPTOR MODULATORS AstraZeneca AB (SE) 2006-05-10 — — EP disclosed
EP-1648871-A1 PIPERIDINE OR 8-AZA-BICYCLO 3.2.1 OCT-3-YL DERIVATIVES USEFUL AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY AstraZeneca AB (SE) 2006-04-26 — — EP disclosed
WO-2006001752-A1 NOVEL PIPERIDINE/8-AZABICYCLO [3.2.1] OCTAN DERIVATIVES AS MODUILATORS OF CHEMOKINE RECEPTOR CCR5 ASTRAZENECA AB (SE) 2006-01-05 — — WO disclosed
WO-2006001751-A1 CHEMICAL COMPOUNDS I ASTRAZENECA AB (SE) 2006-01-05 — — WO disclosed
WO-2005101989-A2 PIPERIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR CCR5 ASTRAZENECA AB (SE) 2005-11-03 — — WO disclosed
EP-1572650-A1 NOVEL PIPERIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR CCR5 AstraZeneca AB (SE) 2005-09-14 — — EP disclosed
WO-2005009959-A1 PIPERIDINE DERIVATIVES AS CCR5 RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2005-02-03 — — WO disclosed
WO-2005007629-A1 PIPERIDINE OR 8-AZA-BICYCLO[3.2.1]OCT-3-YL DERIVATIVES USEFUL AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY ASTRAZENECA AB (SE) 2005-01-27 — — WO disclosed
WO-2004056773-A1 NOVEL PIPERIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR CCR5 ASTRAZENECA AB (SE) 2004-07-08 — — 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 (5 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-20100010007-A1 PIPERIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR CCR5 CCR5, CCR2, CXCR3 TP53 4673/4885NPSR1 133/4885ALDH1A1 1094/4885
US-20090111993-A1 Process for Preparing Beta-(Fluorophenyl)-Propanoate Ester Derivatives ADH1A, ADH1C, ADH5 TP53 4184/4885NPSR1 1420/4885ALDH1A1 94/4885
US-20100093795-A1 Piperidine Derivative Used for Treating Chemokine Receptor 5 Mediated Diseases CCR5, CCL5, CXCR5 TP53 4182/4885NPSR1 169/4885ALDH1A1 889/4885
US-20080200460-A1 Chemical Compounds CCR5, CXCR4, CXCR5 TP53 4435/4885NPSR1 94/4885ALDH1A1 2369/4885
US-20100099708-A1 Piperidine Derivative Used for Treating Chemokine Receptor 5 Mediated Diseases CCR5, CXCR5, CCR2 TP53 4415/4885NPSR1 139/4885ALDH1A1 961/4885

“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.