SCHEMBL6649258

SCHEMBL6649258

CC(C)(C)OC(=O)NC(CC(=O)O)c1cccs1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSK P43235 5/20 0.48
CTSS P25774 5/20 0.48
CTSL P07711 2/20 0.41
REN P00797 1/20 0.41
ATM Q13315 1/20 0.41
ITGB3 P05106 2/20 0.41
ITGA2B P08514 2/20 0.41
F2R P25116 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CTSB P07858 1/20 0.39
ALDH1A1 P00352 1/20 0.39
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39

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
SCHEMBL11412683 0.88 CTSK (0.45) CTSKCTSSCTSLRENATM
SCHEMBL18511282 0.88 REN (0.46) CTSKCTSSCTSLRENATM
SCHEMBL10376679 0.86 CTSK (0.47) CTSKCTSSCTSLRENATM
SCHEMBL10376680 0.86 CTSK (0.47) CTSKCTSSCTSLRENATM
SCHEMBL6753883 0.84 CTSK (0.46) CTSKCTSSCTSLRENATM
SCHEMBL6647750 0.83 CTSK (0.47) CTSKCTSSCTSLRENATM
SCHEMBL11166172 0.83 CTSK (0.47) CTSKCTSSCTSLRENATM
SCHEMBL21714671 0.82 CTSK (0.47) CTSKCTSSCTSLRENATM
SCHEMBL11022623 0.81 CTSK (0.43) CTSKCTSSCTSLRENATM
SCHEMBL10376375 0.81 CTSK (0.46) CTSKCTSSCTSLMEN1KMT2A

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040266823-A1 Novel piperidine derivatives as modulators of chemokine receptors ASTRAZENECA AB (SE) 2004-12-30 US disclosed
WO-2004089362-A1 2-CYANOPYRROLES AND THEIR ANALOGUES AS DDP-IV INHIBITORS NOVO NORDISK A/S (DK) 2004-10-21 WO disclosed
EP-1448525-A1 NOVEL PIPERIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS AstraZeneca AB (SE) 2004-08-25 EP disclosed
WO-2003042178-A1 NOVEL PIPERIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS ASTRAZENECA AB (SE) 2003-05-22 WO disclosed
US-4385176-A RING EXPANSION USING A LEWIS ACID FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1983-05-24 US disclosed
US-4308380-A 2-Lower alkyl-2 or 3-cephem-4-carboxylic acid derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1981-12-29 US disclosed
US-4187374-A 7-(β-Aminoacylamino)-3-substituted-3-cephem-4-carboxylic acid derivatives and preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1980-02-05 US disclosed
US-4113940-A ANTIMICROBIAL FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1978-09-12 US disclosed
US-4094872-A 7-(β-Aminoacylamino)-3-heterocyclic-thiomethyl-3-cephem-4-carboxylic acid derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JA) 1978-06-13 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-20040266823-A1 Novel piperidine derivatives as modulators of chemokine receptors CCR5, CCR2, CX3CR1 CTSK 3212/4885CTSS 3177/4885CTSL 2175/4885

“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.